N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C57H75B2BrCl2N10O6 — CID 158997701

IUPACN-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C)CCNc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3Cl)ccc2n1.CN(C)CCNc1ncc2cc(Br)ccc2n1.Cc1cc(C(=O)NC2CC2)ccc1Cl
InChIInChI=1S/C22H24ClN5O.C12H24B2O4.C12H15BrN4.C11H12ClNO/c1-28(2)10-9-24-22-25-13-16-11-14(4-8-20(16)27-22)18-12-15(3-7-19(18)23)21(29)26-17-5-6-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-17(2)6-5-14-12-15-8-9-7-10(13)3-4-11(9)16-12;1-7-6-8(2-5-10(7)12)11(14)13-9-3-4-9/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,26,29)(H,24,25,27);1-8H3;3-4,7-8H,5-6H2,1-2H3,(H,14,15,16);2,5-6,9H,3-4H2,1H3,(H,13,14)
InChIKeyJQYHTPRJBFEVTG-UHFFFAOYSA-N
MW1168.72 g/mol
LogP10.97
Rot. Bonds14

About N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158997701) has the molecular formula C57H75B2BrCl2N10O6 and a molecular weight of 1168.72 g/mol. Its IUPAC name is N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound NameN-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID158997701
Molecular FormulaC57H75B2BrCl2N10O6
Molecular Weight1168.72 g/mol
Exact Mass1166.46
IUPAC NameN-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C)CCNc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3Cl)ccc2n1.CN(C)CCNc1ncc2cc(Br)ccc2n1.Cc1cc(C(=O)NC2CC2)ccc1Cl
InChIInChI=1S/C22H24ClN5O.C12H24B2O4.C12H15BrN4.C11H12ClNO/c1-28(2)10-9-24-22-25-13-16-11-14(4-8-20(16)27-22)18-12-15(3-7-19(18)23)21(29)26-17-5-6-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-17(2)6-5-14-12-15-8-9-7-10(13)3-4-11(9)16-12;1-7-6-8(2-5-10(7)12)11(14)13-9-3-4-9/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,26,29)(H,24,25,27);1-8H3;3-4,7-8H,5-6H2,1-2H3,(H,14,15,16);2,5-6,9H,3-4H2,1H3,(H,13,14)
InChIKeyJQYHTPRJBFEVTG-UHFFFAOYSA-N
XLogP10.97
TPSA177.22 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001168.72
LogP ≤ 510.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

5-Bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-ylindole-3-carboxamide;pyrimidin-5-ylboronic acid
CID 159216184
2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;[2-(dimethylamino)pyrimidin-5-yl]boronic acid
CID 159490344
3-[2-(2-anilinoethylamino)quinazolin-6-yl]-N-cyclopropyl-4-methylbenzamide;6-bromo-2-chloroquinazoline;3-(2-chloroquinazolin-6-yl)-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 159717445
5-Bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indole-3-carboxamide;[2-(dimethylamino)pyrimidin-5-yl]boronic acid
CID 160334020
2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;pyrimidin-5-ylboronic acid
CID 161340257
(5S)-5-aminopiperidin-2-one;6-bromo-2-chloroquinazoline;(5S)-5-[(6-bromoquinazolin-2-yl)amino]piperidin-2-one;N-cyclopropyl-4-methyl-3-[2-[[(3S)-6-oxopiperidin-3-yl]amino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 161576600
2-amino-N,N-dimethyl-5-[4-(1-phenylethylamino)quinazolin-6-yl]pyridine-3-carboxamide;2-amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide;6-bromo-N-(1-phenylethyl)quinazolin-4-amine;methane
CID 165102793

Frequently Asked Questions

What is the IUPAC name of N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158997701) is N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C)CCNc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3Cl)ccc2n1.CN(C)CCNc1ncc2cc(Br)ccc2n1.Cc1cc(C(=O)NC2CC2)ccc1Cl.
What is the InChIKey of N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is JQYHTPRJBFEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O.C12H24B2O4.C12H15BrN4.C11H12ClNO/c1-28(2)10-9-24-22-25-13-16-11-14(4-8-20(16)27-22)18-12-15(3-7-19(18)23)21(29)26-17-5-6-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-17(2)6-5-14-12-15-8-9-7-10(13)3-4-11(9)16-12;1-7-6-8(2-5-10(7)12)11(14)13-9-3-4-9/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,26,29)(H,24,25,27);1-8H3;3-4,7-8H,5-6H2,1-2H3,(H,14,15,16);2,5-6,9H,3-4H2,1H3,(H,13,14).
What are the key properties of N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1168.72 g/mol, XLogP of 10.97, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine;4-chloro-N-cyclopropyl-3-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]benzamide;4-chloro-N-cyclopropyl-3-methylbenzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158997701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).