N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C21H22ClN3O2 — CID 135972253

IUPACN-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H22ClN3O2/c1-3-13-9-10-16(22)14(4-2)20(13)25-19(26)12-11-18-23-17-8-6-5-7-15(17)21(27)24-18/h5-10H,3-4,11-12H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyLPLZAYPZHXBNLH-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.27
Rot. Bonds6

About N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135972253) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135972253
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H22ClN3O2/c1-3-13-9-10-16(22)14(4-2)20(13)25-19(26)12-11-18-23-17-8-6-5-7-15(17)21(27)24-18/h5-10H,3-4,11-12H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyLPLZAYPZHXBNLH-UHFFFAOYSA-N
XLogP4.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137284840
N-[1-(2-chlorophenyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135993503
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135972253) is N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CCc1ccc(Cl)c(CC)c1NC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is LPLZAYPZHXBNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-3-13-9-10-16(22)14(4-2)20(13)25-19(26)12-11-18-23-17-8-6-5-7-15(17)21(27)24-18/h5-10H,3-4,11-12H2,1-2H3,(H,25,26)(H,23,24,27).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 383.88 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135972253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).