N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide

C24H27Cl2N5O — CID 68885134

IUPACN-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCN(C)c1nc(NC2CCC(C(=O)NCc3cc(Cl)ccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C24H27Cl2N5O/c1-31(2)22-19-5-3-4-6-21(19)29-24(30-22)28-18-10-7-15(8-11-18)23(32)27-14-16-13-17(25)9-12-20(16)26/h3-6,9,12-13,15,18H,7-8,10-11,14H2,1-2H3,(H,27,32)(H,28,29,30)
InChIKeyBZKLZSIUPWIGEC-UHFFFAOYSA-N
MW472.42 g/mol
LogP5.29
Rot. Bonds6

About N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide

N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 68885134) has the molecular formula C24H27Cl2N5O and a molecular weight of 472.42 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID68885134
Molecular FormulaC24H27Cl2N5O
Molecular Weight472.42 g/mol
Exact Mass471.16
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCN(C)c1nc(NC2CCC(C(=O)NCc3cc(Cl)ccc3Cl)CC2)nc2ccccc12
InChIInChI=1S/C24H27Cl2N5O/c1-31(2)22-19-5-3-4-6-21(19)29-24(30-22)28-18-10-7-15(8-11-18)23(32)27-14-16-13-17(25)9-12-20(16)26/h3-6,9,12-13,15,18H,7-8,10-11,14H2,1-2H3,(H,27,32)(H,28,29,30)
InChIKeyBZKLZSIUPWIGEC-UHFFFAOYSA-N
XLogP5.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68959773
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-chloro-2-methylphenyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]urea
CID 68957723
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
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2,3,5,6-tetrachlorophenyl)urea
CID 11489612
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-(3-nitrophenyl)cyclohexane-1-carboxamide
CID 68883218
2-(3-chloro-N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]anilino)acetamide
CID 91288602

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide (CID 68885134) is N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide is CN(C)c1nc(NC2CCC(C(=O)NCc3cc(Cl)ccc3Cl)CC2)nc2ccccc12.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is BZKLZSIUPWIGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O/c1-31(2)22-19-5-3-4-6-21(19)29-24(30-22)28-18-10-7-15(8-11-18)23(32)27-14-16-13-17(25)9-12-20(16)26/h3-6,9,12-13,15,18H,7-8,10-11,14H2,1-2H3,(H,27,32)(H,28,29,30).
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide?
N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 68885134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).