4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide

C27H27ClN4O — CID 57434970

IUPAC4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide
SMILESCCN(CC)c1ncnc2ccc(-c3cccc(CN(C)C(=O)c4ccc(Cl)cc4)c3)cc12
InChIInChI=1S/C27H27ClN4O/c1-4-32(5-2)26-24-16-22(11-14-25(24)29-18-30-26)21-8-6-7-19(15-21)17-31(3)27(33)20-9-12-23(28)13-10-20/h6-16,18H,4-5,17H2,1-3H3
InChIKeyUZTHIGUOVLDOLA-UHFFFAOYSA-N
MW458.99 g/mol
LogP6.07
Rot. Bonds7

About 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide

4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide (PubChem CID 57434970) has the molecular formula C27H27ClN4O and a molecular weight of 458.99 g/mol. Its IUPAC name is 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide
PubChem CID57434970
Molecular FormulaC27H27ClN4O
Molecular Weight458.99 g/mol
Exact Mass458.19
IUPAC Name4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide
SMILESCCN(CC)c1ncnc2ccc(-c3cccc(CN(C)C(=O)c4ccc(Cl)cc4)c3)cc12
InChIInChI=1S/C27H27ClN4O/c1-4-32(5-2)26-24-16-22(11-14-25(24)29-18-30-26)21-8-6-7-19(15-21)17-31(3)27(33)20-9-12-23(28)13-10-20/h6-16,18H,4-5,17H2,1-3H3
InChIKeyUZTHIGUOVLDOLA-UHFFFAOYSA-N
XLogP6.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 68946581
4-[[3-[4-[carboxy(methyl)amino]quinazolin-6-yl]phenyl]methylamino]-4-oxobutanoic acid
CID 68946679
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
3-[3-[[(4-chlorobenzoyl)-(2-phenylethyl)amino]methyl]phenyl]benzoic acid
CID 11496867
N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55920535
4-[3-[[(4-chlorobenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 11663429
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26731707
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide (CID 57434970) is 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide is CCN(CC)c1ncnc2ccc(-c3cccc(CN(C)C(=O)c4ccc(Cl)cc4)c3)cc12.
What is the InChIKey of 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide?
The InChIKey is UZTHIGUOVLDOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O/c1-4-32(5-2)26-24-16-22(11-14-25(24)29-18-30-26)21-8-6-7-19(15-21)17-31(3)27(33)20-9-12-23(28)13-10-20/h6-16,18H,4-5,17H2,1-3H3.
What are the key properties of 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide?
4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide has a molecular weight of 458.99 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 57434970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).