N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C21H20ClN3O2 — CID 135625093

IUPACN-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H](c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C21H20ClN3O2/c22-15-9-7-14(8-10-15)20(13-5-6-13)25-19(26)12-11-18-23-17-4-2-1-3-16(17)21(27)24-18/h1-4,7-10,13,20H,5-6,11-12H2,(H,25,26)(H,23,24,27)/t20-/m1/s1
InChIKeyLORIDFQJHZOVGZ-HXUWFJFHSA-N
MW381.86 g/mol
LogP3.78
Rot. Bonds6

About N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135625093) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135625093
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H](c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C21H20ClN3O2/c22-15-9-7-14(8-10-15)20(13-5-6-13)25-19(26)12-11-18-23-17-4-2-1-3-16(17)21(27)24-18/h1-4,7-10,13,20H,5-6,11-12H2,(H,25,26)(H,23,24,27)/t20-/m1/s1
InChIKeyLORIDFQJHZOVGZ-HXUWFJFHSA-N
XLogP3.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
N-[1-(2-chlorophenyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135993503
N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
CID 95973818
N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135872878
N-(2,3-dihydro-1H-inden-1-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135886882
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 136743264
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137127135
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137097401
N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136696915
3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135915051

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135625093) is N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H](c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is LORIDFQJHZOVGZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-15-9-7-14(8-10-15)20(13-5-6-13)25-19(26)12-11-18-23-17-4-2-1-3-16(17)21(27)24-18/h1-4,7-10,13,20H,5-6,11-12H2,(H,25,26)(H,23,24,27)/t20-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 381.86 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135625093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).