N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide

C51H62N10O2 — CID 158059776

IUPACN-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCNC(C)C)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N[C@@H]3CCCC[C@H]3N(C)C)ncc2c1
InChIInChI=1S/C27H33N5O.C24H29N5O/c1-17-8-9-19(26(33)29-21-11-12-21)15-22(17)18-10-13-23-20(14-18)16-28-27(30-23)31-24-6-4-5-7-25(24)32(2)3;1-15(2)25-10-11-26-24-27-14-19-12-17(6-9-22(19)29-24)21-13-18(5-4-16(21)3)23(30)28-20-7-8-20/h8-10,13-16,21,24-25H,4-7,11-12H2,1-3H3,(H,29,33)(H,28,30,31);4-6,9,12-15,20,25H,7-8,10-11H2,1-3H3,(H,28,30)(H,26,27,29)/t24-,25-;/m1./s1
InChIKeyFKMOQTYRAQACPT-JIMLSGQQSA-N
MW847.13 g/mol
LogP8.69
Rot. Bonds14

About N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide

N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide (PubChem CID 158059776) has the molecular formula C51H62N10O2 and a molecular weight of 847.13 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
PubChem CID158059776
Molecular FormulaC51H62N10O2
Molecular Weight847.13 g/mol
Exact Mass846.51
IUPAC NameN-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCNC(C)C)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N[C@@H]3CCCC[C@H]3N(C)C)ncc2c1
InChIInChI=1S/C27H33N5O.C24H29N5O/c1-17-8-9-19(26(33)29-21-11-12-21)15-22(17)18-10-13-23-20(14-18)16-28-27(30-23)31-24-6-4-5-7-25(24)32(2)3;1-15(2)25-10-11-26-24-27-14-19-12-17(6-9-22(19)29-24)21-13-18(5-4-16(21)3)23(30)28-20-7-8-20/h8-10,13-16,21,24-25H,4-7,11-12H2,1-3H3,(H,29,33)(H,28,30,31);4-6,9,12-15,20,25H,7-8,10-11H2,1-3H3,(H,28,30)(H,26,27,29)/t24-,25-;/m1./s1
InChIKeyFKMOQTYRAQACPT-JIMLSGQQSA-N
XLogP8.69
TPSA149.09 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.13
LogP ≤ 58.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide (CID 158059776) is N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCNC(C)C)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N[C@@H]3CCCC[C@H]3N(C)C)ncc2c1.
What is the InChIKey of N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide?
The InChIKey is FKMOQTYRAQACPT-JIMLSGQQSA-N. The full InChI is InChI=1S/C27H33N5O.C24H29N5O/c1-17-8-9-19(26(33)29-21-11-12-21)15-22(17)18-10-13-23-20(14-18)16-28-27(30-23)31-24-6-4-5-7-25(24)32(2)3;1-15(2)25-10-11-26-24-27-14-19-12-17(6-9-22(19)29-24)21-13-18(5-4-16(21)3)23(30)28-20-7-8-20/h8-10,13-16,21,24-25H,4-7,11-12H2,1-3H3,(H,29,33)(H,28,30,31);4-6,9,12-15,20,25H,7-8,10-11H2,1-3H3,(H,28,30)(H,26,27,29)/t24-,25-;/m1./s1.
What are the key properties of N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide?
N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide has a molecular weight of 847.13 g/mol, XLogP of 8.69, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide is sourced from PubChem (CID 158059776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).