N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C20H20ClN3O2 — CID 135925520

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESC[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-13(14-7-2-4-9-16(14)21)22-19(25)12-6-11-18-23-17-10-5-3-8-15(17)20(26)24-18/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,24,26)/t13-/m0/s1
InChIKeyZCAHGNIQCJTFKM-ZDUSSCGKSA-N
MW369.85 g/mol
LogP3.78
Rot. Bonds6

About N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135925520) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135925520
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESC[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-13(14-7-2-4-9-16(14)21)22-19(25)12-6-11-18-23-17-10-5-3-8-15(17)20(26)24-18/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,24,26)/t13-/m0/s1
InChIKeyZCAHGNIQCJTFKM-ZDUSSCGKSA-N
XLogP3.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135993503
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137137335
4-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]-4-phenylbutanoic acid
CID 136990447
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
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
(2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]propanoic acid
CID 135625145
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135925520) is N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is C[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is ZCAHGNIQCJTFKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13(14-7-2-4-9-16(14)21)22-19(25)12-6-11-18-23-17-10-5-3-8-15(17)20(26)24-18/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,25)(H,23,24,26)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 369.85 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-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135925520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).