6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal

C112H126F6N20O20 — CID 176543185

IUPAC6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal
SMILESC.C.CC(=O)C=O.CO.CO.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(CCC(=O)O)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N)cc23)CC1.COc1ccccc1C1CCNCC1.FC1CC1.N#Cc1cc([N+](=O)[O-])ccc1N.N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C1(F)CC1.Nc1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.O=C=O.O=c1[nH]c(C2(F)CC2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C26H28FN3O3.C23H25FN4O.C12H17NO.2C11H8FN3O3.C11H10FN3O.C7H5N3O2.C3H5F.C3H4O2.CO2.2CH4O.2CH4/c1-33-22-5-3-2-4-19(22)18-10-14-30(15-11-18)24-20-16-17(7-9-23(31)32)6-8-21(20)28-25(29-24)26(27)12-13-26;1-29-20-5-3-2-4-17(20)15-8-12-28(13-9-15)21-18-14-16(25)6-7-19(18)26-22(27-21)23(24)10-11-23;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;12-11(3-4-11)10-13-8-2-1-6(15(17)18)5-7(8)9(16)14-10;12-11(3-4-11)10(16)14-9-2-1-8(15(17)18)5-7(9)6-13;12-11(3-4-11)10-14-8-2-1-6(13)5-7(8)9(16)15-10;8-4-5-3-6(10(11)12)1-2-7(5)9;4-3-1-2-3;1-3(5)2-4;2-1-3;2*1-2;;/h2-6,8,16,18H,7,9-15H2,1H3,(H,31,32);2-7,14-15H,8-13,25H2,1H3;2-5,10,13H,6-9H2,1H3;1-2,5H,3-4H2,(H,13,14,16);1-2,5H,3-4H2,(H,14,16);1-2,5H,3-4,13H2,(H,14,15,16);1-3H,9H2;3H,1-2H2;2H,1H3;;2*2H,1H3;2*1H4
InChIKeyIUEQGCNZBOWSOQ-UHFFFAOYSA-N
MW2186.35 g/mol
LogP18.73
Rot. Bonds21

About 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal

6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal (PubChem CID 176543185) has the molecular formula C112H126F6N20O20 and a molecular weight of 2186.35 g/mol. Its IUPAC name is 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal.

Molecular Properties

Compound Name6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal
PubChem CID176543185
Molecular FormulaC112H126F6N20O20
Molecular Weight2186.35 g/mol
Exact Mass2184.94
IUPAC Name6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal
SMILESC.C.CC(=O)C=O.CO.CO.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(CCC(=O)O)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N)cc23)CC1.COc1ccccc1C1CCNCC1.FC1CC1.N#Cc1cc([N+](=O)[O-])ccc1N.N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C1(F)CC1.Nc1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.O=C=O.O=c1[nH]c(C2(F)CC2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C26H28FN3O3.C23H25FN4O.C12H17NO.2C11H8FN3O3.C11H10FN3O.C7H5N3O2.C3H5F.C3H4O2.CO2.2CH4O.2CH4/c1-33-22-5-3-2-4-19(22)18-10-14-30(15-11-18)24-20-16-17(7-9-23(31)32)6-8-21(20)28-25(29-24)26(27)12-13-26;1-29-20-5-3-2-4-17(20)15-8-12-28(13-9-15)21-18-14-16(25)6-7-19(18)26-22(27-21)23(24)10-11-23;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;12-11(3-4-11)10-13-8-2-1-6(15(17)18)5-7(8)9(16)14-10;12-11(3-4-11)10(16)14-9-2-1-8(15(17)18)5-7(9)6-13;12-11(3-4-11)10-14-8-2-1-6(13)5-7(8)9(16)15-10;8-4-5-3-6(10(11)12)1-2-7(5)9;4-3-1-2-3;1-3(5)2-4;2-1-3;2*1-2;;/h2-6,8,16,18H,7,9-15H2,1H3,(H,31,32);2-7,14-15H,8-13,25H2,1H3;2-5,10,13H,6-9H2,1H3;1-2,5H,3-4H2,(H,13,14,16);1-2,5H,3-4H2,(H,14,16);1-2,5H,3-4,13H2,(H,14,15,16);1-3H,9H2;3H,1-2H2;2H,1H3;;2*2H,1H3;2*1H4
InChIKeyIUEQGCNZBOWSOQ-UHFFFAOYSA-N
XLogP18.73
TPSA619.46 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002186.35
LogP ≤ 518.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal?
The IUPAC name of 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal (CID 176543185) is 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal.
What is the SMILES notation for 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal?
The canonical SMILES for 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal is C.C.CC(=O)C=O.CO.CO.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(CCC(=O)O)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N)cc23)CC1.COc1ccccc1C1CCNCC1.FC1CC1.N#Cc1cc([N+](=O)[O-])ccc1N.N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C1(F)CC1.Nc1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.O=C=O.O=c1[nH]c(C2(F)CC2)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal?
The InChIKey is IUEQGCNZBOWSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3.C23H25FN4O.C12H17NO.2C11H8FN3O3.C11H10FN3O.C7H5N3O2.C3H5F.C3H4O2.CO2.2CH4O.2CH4/c1-33-22-5-3-2-4-19(22)18-10-14-30(15-11-18)24-20-16-17(7-9-23(31)32)6-8-21(20)28-25(29-24)26(27)12-13-26;1-29-20-5-3-2-4-17(20)15-8-12-28(13-9-15)21-18-14-16(25)6-7-19(18)26-22(27-21)23(24)10-11-23;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;12-11(3-4-11)10-13-8-2-1-6(15(17)18)5-7(8)9(16)14-10;12-11(3-4-11)10(16)14-9-2-1-8(15(17)18)5-7(9)6-13;12-11(3-4-11)10-14-8-2-1-6(13)5-7(8)9(16)15-10;8-4-5-3-6(10(11)12)1-2-7(5)9;4-3-1-2-3;1-3(5)2-4;2-1-3;2*1-2;;/h2-6,8,16,18H,7,9-15H2,1H3,(H,31,32);2-7,14-15H,8-13,25H2,1H3;2-5,10,13H,6-9H2,1H3;1-2,5H,3-4H2,(H,13,14,16);1-2,5H,3-4H2,(H,14,16);1-2,5H,3-4,13H2,(H,14,15,16);1-3H,9H2;3H,1-2H2;2H,1H3;;2*2H,1H3;2*1H4.
What are the key properties of 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal?
6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal has a molecular weight of 2186.35 g/mol, XLogP of 18.73, 21 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1-fluorocyclopropyl)-3H-quinazolin-4-one;2-amino-5-nitrobenzonitrile;carbon dioxide;N-(2-cyano-4-nitrophenyl)-1-fluorocyclopropane-1-carboxamide;fluorocyclopropane;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-amine;3-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]propanoic acid;2-(1-fluorocyclopropyl)-6-nitro-3H-quinazolin-4-one;methane;methanol;4-(2-methoxyphenyl)piperidine;2-oxopropanal is sourced from PubChem (CID 176543185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).