N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide

C27H34N4O — CID 155511942

IUPACN,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(C4CCC(C(=O)N(C)C)CC4)cc23)c1
InChIInChI=1S/C27H34N4O/c1-17-7-6-8-22(15-17)18(2)28-26-24-16-23(13-14-25(24)29-19(3)30-26)20-9-11-21(12-10-20)27(32)31(4)5/h6-8,13-16,18,20-21H,9-12H2,1-5H3,(H,28,29,30)/t18-,20?,21?/m1/s1
InChIKeyOCVGXJNKIBSNTD-KMFTYDHNSA-N
MW430.60 g/mol
LogP5.78
Rot. Bonds5

About N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide

N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide (PubChem CID 155511942) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide
PubChem CID155511942
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(C4CCC(C(=O)N(C)C)CC4)cc23)c1
InChIInChI=1S/C27H34N4O/c1-17-7-6-8-22(15-17)18(2)28-26-24-16-23(13-14-25(24)29-19(3)30-26)20-9-11-21(12-10-20)27(32)31(4)5/h6-8,13-16,18,20-21H,9-12H2,1-5H3,(H,28,29,30)/t18-,20?,21?/m1/s1
InChIKeyOCVGXJNKIBSNTD-KMFTYDHNSA-N
XLogP5.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

(3-methoxyazetidin-1-yl)-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexyl]methanone
CID 158349071
N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-2-methyl-6-(thian-4-yl)quinazolin-4-amine
CID 158439521
3-[2,7-dimethyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]butanoic acid
CID 162052605
1-[4-[2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159424789
N-[1-(3-chlorophenyl)ethyl]-2,6-dimethylquinazolin-4-amine
CID 135336392
1-[4-[2,7-dimethyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]piperidin-1-yl]-2-methoxyethanone
CID 153283595
2-[4-[2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]pyrazol-1-yl]acetic acid
CID 153283525
2-methoxy-4-[7-methoxy-2-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylbenzamide
CID 159732742
4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol
CID 157431527
5-[7-methoxy-2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide
CID 155513101
2-methyl-N-[1-(3-methylphenyl)ethenyl]-6-(thian-4-yl)quinazolin-4-amine
CID 135176801
tert-butyl 4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153283520

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide (CID 155511942) is N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide is Cc1cccc([C@@H](C)Nc2nc(C)nc3ccc(C4CCC(C(=O)N(C)C)CC4)cc23)c1.
What is the InChIKey of N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide?
The InChIKey is OCVGXJNKIBSNTD-KMFTYDHNSA-N. The full InChI is InChI=1S/C27H34N4O/c1-17-7-6-8-22(15-17)18(2)28-26-24-16-23(13-14-25(24)29-19(3)30-26)20-9-11-21(12-10-20)27(32)31(4)5/h6-8,13-16,18,20-21H,9-12H2,1-5H3,(H,28,29,30)/t18-,20?,21?/m1/s1.
What are the key properties of N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide?
N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 155511942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).