2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide

C20H18ClN3O3 — CID 42811778

IUPAC2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)n1c(=O)n(-c2ccccc2Cl)c(=O)c2ccccc21
InChIInChI=1S/C20H18ClN3O3/c1-12(18(25)22-13-10-11-13)23-16-8-4-2-6-14(16)19(26)24(20(23)27)17-9-5-3-7-15(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,25)
InChIKeySSLKCUKYQDEQDH-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.65
Rot. Bonds4

About 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide

2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide (PubChem CID 42811778) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide
PubChem CID42811778
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)n1c(=O)n(-c2ccccc2Cl)c(=O)c2ccccc21
InChIInChI=1S/C20H18ClN3O3/c1-12(18(25)22-13-10-11-13)23-16-8-4-2-6-14(16)19(26)24(20(23)27)17-9-5-3-7-15(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,25)
InChIKeySSLKCUKYQDEQDH-UHFFFAOYSA-N
XLogP2.65
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)butanamide
CID 42810860
(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 93289048
N-butan-2-yl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 42811763
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 2216145
(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8711871
3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 42811335
N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide
CID 20894045
2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42811337
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 42811751
(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 93142932
(2R)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 2615492
(2R)-N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95059426

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide (CID 42811778) is 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)n1c(=O)n(-c2ccccc2Cl)c(=O)c2ccccc21.
What is the InChIKey of 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is SSLKCUKYQDEQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-12(18(25)22-13-10-11-13)23-16-8-4-2-6-14(16)19(26)24(20(23)27)17-9-5-3-7-15(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,25).
What are the key properties of 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide?
2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 383.84 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 42811778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).