N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide

C24H28ClN5O — CID 68959773

IUPACN-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCN(C)c1nc(NC2CCC(C(=O)NCc3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C24H28ClN5O/c1-30(2)22-19-8-4-6-10-21(19)28-24(29-22)27-18-13-11-16(12-14-18)23(31)26-15-17-7-3-5-9-20(17)25/h3-10,16,18H,11-15H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyYWMFYTNWUWJLPX-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.64
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide

N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 68959773) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID68959773
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCN(C)c1nc(NC2CCC(C(=O)NCc3ccccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C24H28ClN5O/c1-30(2)22-19-8-4-6-10-21(19)28-24(29-22)27-18-13-11-16(12-14-18)23(31)26-15-17-7-3-5-9-20(17)25/h3-10,16,18H,11-15H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyYWMFYTNWUWJLPX-UHFFFAOYSA-N
XLogP4.64
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68885134
N-[(3-chloro-2,6-difluorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68886216
4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carboxamide
CID 68885137
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 69015517
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
1-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 69476095
benzyl 4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylate
CID 68886825
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
1-benzhydryl-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 69473453
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2,3,5,6-tetrachlorophenyl)urea
CID 11489612

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide (CID 68959773) is N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide is CN(C)c1nc(NC2CCC(C(=O)NCc3ccccc3Cl)CC2)nc2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is YWMFYTNWUWJLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-30(2)22-19-8-4-6-10-21(19)28-24(29-22)27-18-13-11-16(12-14-18)23(31)26-15-17-7-3-5-9-20(17)25/h3-10,16,18H,11-15H2,1-2H3,(H,26,31)(H,27,28,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 437.98 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 68959773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).