2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine

C81H74N26 — CID 160510592

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine
SMILESCc1nccn1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.c1ccc2c(Nc3n[nH]c4ccccc34)nc(-n3ccnc3)nc2c1.c1ccc2c(Nc3n[nH]c4ccccc34)nc(N3CCCC4CCCCC43)nc2c1.c1ccc2c(Nc3n[nH]c4ccccc34)nc(N3CCCCC3)nc2c1
InChIInChI=1S/C24H26N6.C20H20N6.C19H15N7.C18H13N7/c1-6-14-21-16(8-1)9-7-15-30(21)24-25-19-12-4-2-10-17(19)22(27-24)26-23-18-11-3-5-13-20(18)28-29-23;1-6-12-26(13-7-1)20-21-16-10-4-2-8-14(16)18(23-20)22-19-15-9-3-5-11-17(15)24-25-19;1-12-20-10-11-26(12)19-21-15-8-4-2-6-13(15)17(23-19)22-18-14-7-3-5-9-16(14)24-25-18;1-3-7-14-12(5-1)16(22-18(20-14)25-10-9-19-11-25)21-17-13-6-2-4-8-15(13)23-24-17/h2-5,10-13,16,21H,1,6-9,14-15H2,(H2,25,26,27,28,29);2-5,8-11H,1,6-7,12-13H2,(H2,21,22,23,24,25);2-11H,1H3,(H2,21,22,23,24,25);1-11H,(H2,20,21,22,23,24)
InChIKeyQSZNWFBVXBXHMP-UHFFFAOYSA-N
MW1411.66 g/mol
LogP16.83
Rot. Bonds12

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 160510592) has the molecular formula C81H74N26 and a molecular weight of 1411.66 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine
PubChem CID160510592
Molecular FormulaC81H74N26
Molecular Weight1411.66 g/mol
Exact Mass1410.66
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine
SMILESCc1nccn1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.c1ccc2c(Nc3n[nH]c4ccccc34)nc(-n3ccnc3)nc2c1.c1ccc2c(Nc3n[nH]c4ccccc34)nc(N3CCCC4CCCCC43)nc2c1.c1ccc2c(Nc3n[nH]c4ccccc34)nc(N3CCCCC3)nc2c1
InChIInChI=1S/C24H26N6.C20H20N6.C19H15N7.C18H13N7/c1-6-14-21-16(8-1)9-7-15-30(21)24-25-19-12-4-2-10-17(19)22(27-24)26-23-18-11-3-5-13-20(18)28-29-23;1-6-12-26(13-7-1)20-21-16-10-4-2-8-14(16)18(23-20)22-19-15-9-3-5-11-17(15)24-25-19;1-12-20-10-11-26(12)19-21-15-8-4-2-6-13(15)17(23-19)22-18-14-7-3-5-9-16(14)24-25-18;1-3-7-14-12(5-1)16(22-18(20-14)25-10-9-19-11-25)21-17-13-6-2-4-8-15(13)23-24-17/h2-5,10-13,16,21H,1,6-9,14-15H2,(H2,25,26,27,28,29);2-5,8-11H,1,6-7,12-13H2,(H2,21,22,23,24,25);2-11H,1H3,(H2,21,22,23,24,25);1-11H,(H2,20,21,22,23,24)
InChIKeyQSZNWFBVXBXHMP-UHFFFAOYSA-N
XLogP16.83
TPSA308.08 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001411.66
LogP ≤ 516.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine
CID 59213363
2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine
CID 139645178
iodomethane;piperidin-1-yl-[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]methanone
CID 159700883
N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
CID 68721936
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
1-[4-(benzylamino)quinazolin-2-yl]pyrrolidine-2-carboxylic acid
CID 68723847
N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128826
N-methyl-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 56699064
4-(4-imidazol-1-ylphenyl)-N-(1H-indazol-3-yl)-1,3-thiazol-2-amine
CID 58911089
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine (CID 160510592) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine is Cc1nccn1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.c1ccc2c(Nc3n[nH]c4ccccc34)nc(-n3ccnc3)nc2c1.c1ccc2c(Nc3n[nH]c4ccccc34)nc(N3CCCC4CCCCC43)nc2c1.c1ccc2c(Nc3n[nH]c4ccccc34)nc(N3CCCCC3)nc2c1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is QSZNWFBVXBXHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6.C20H20N6.C19H15N7.C18H13N7/c1-6-14-21-16(8-1)9-7-15-30(21)24-25-19-12-4-2-10-17(19)22(27-24)26-23-18-11-3-5-13-20(18)28-29-23;1-6-12-26(13-7-1)20-21-16-10-4-2-8-14(16)18(23-20)22-19-15-9-3-5-11-17(15)24-25-19;1-12-20-10-11-26(12)19-21-15-8-4-2-6-13(15)17(23-19)22-18-14-7-3-5-9-16(14)24-25-18;1-3-7-14-12(5-1)16(22-18(20-14)25-10-9-19-11-25)21-17-13-6-2-4-8-15(13)23-24-17/h2-5,10-13,16,21H,1,6-9,14-15H2,(H2,25,26,27,28,29);2-5,8-11H,1,6-7,12-13H2,(H2,21,22,23,24,25);2-11H,1H3,(H2,21,22,23,24,25);1-11H,(H2,20,21,22,23,24).
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 1411.66 g/mol, XLogP of 16.83, 12 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine;2-imidazol-1-yl-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methylimidazol-1-yl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 160510592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).