N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide

C31H33N5O2 — CID 10164382

IUPACN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C31H33N5O2/c1-20-12-14-21(15-13-20)28(37)24-8-4-5-9-25(24)30(38)32-22-16-18-23(19-17-22)33-31-34-27-11-7-6-10-26(27)29(35-31)36(2)3/h4-15,22-23H,16-19H2,1-3H3,(H,32,38)(H,33,34,35)
InChIKeyPJSOOQFGXUEYMV-UHFFFAOYSA-N
MW507.64 g/mol
LogP5.39
Rot. Bonds7

About N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide (PubChem CID 10164382) has the molecular formula C31H33N5O2 and a molecular weight of 507.64 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide
PubChem CID10164382
Molecular FormulaC31H33N5O2
Molecular Weight507.64 g/mol
Exact Mass507.26
IUPAC NameN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C31H33N5O2/c1-20-12-14-21(15-13-20)28(37)24-8-4-5-9-25(24)30(38)32-22-16-18-23(19-17-22)33-31-34-27-11-7-6-10-26(27)29(35-31)36(2)3/h4-15,22-23H,16-19H2,1-3H3,(H,32,38)(H,33,34,35)
InChIKeyPJSOOQFGXUEYMV-UHFFFAOYSA-N
XLogP5.39
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide with MolForge

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Related Compounds

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 162304567
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane
CID 158648688
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-4-methylbenzamide
CID 142230676
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-phenoxypyridine-3-carboxamide;methane
CID 158714036
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide
CID 70995699
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide
CID 69477161
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634
1-cyclopentyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612155
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 162311266

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide (CID 10164382) is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1.
What is the InChIKey of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide?
The InChIKey is PJSOOQFGXUEYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O2/c1-20-12-14-21(15-13-20)28(37)24-8-4-5-9-25(24)30(38)32-22-16-18-23(19-17-22)33-31-34-27-11-7-6-10-26(27)29(35-31)36(2)3/h4-15,22-23H,16-19H2,1-3H3,(H,32,38)(H,33,34,35).
What are the key properties of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide?
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide has a molecular weight of 507.64 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide is sourced from PubChem (CID 10164382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).