(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide

C19H17ClN4O2 — CID 30287276

IUPAC(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide
SMILESNC(=O)N[C@@H](CC(=O)Nc1cccc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C19H17ClN4O2/c20-14-7-2-1-5-12(14)17(24-19(21)26)11-18(25)23-16-9-3-8-15-13(16)6-4-10-22-15/h1-10,17H,11H2,(H,23,25)(H3,21,24,26)/t17-/m0/s1
InChIKeyMNNWQULGQIUQTR-KRWDZBQOSA-N
MW368.82 g/mol
LogP3.63
Rot. Bonds5

About (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide

(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide (PubChem CID 30287276) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide
PubChem CID30287276
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide
SMILESNC(=O)N[C@@H](CC(=O)Nc1cccc2ncccc12)c1ccccc1Cl
InChIInChI=1S/C19H17ClN4O2/c20-14-7-2-1-5-12(14)17(24-19(21)26)11-18(25)23-16-9-3-8-15-13(16)6-4-10-22-15/h1-10,17H,11H2,(H,23,25)(H3,21,24,26)/t17-/m0/s1
InChIKeyMNNWQULGQIUQTR-KRWDZBQOSA-N
XLogP3.63
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
[2-(2,3-dimethylanilino)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757922
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32604442
2-(benzhydrylamino)-N-quinolin-5-ylacetamide
CID 42126505
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
CID 4846215
(3R)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
CID 8008810
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide
CID 42890733
3-acetamido-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)propanamide
CID 42962669
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide
CID 118296422
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide (CID 30287276) is (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide is NC(=O)N[C@@H](CC(=O)Nc1cccc2ncccc12)c1ccccc1Cl.
What is the InChIKey of (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide?
The InChIKey is MNNWQULGQIUQTR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-14-7-2-1-5-12(14)17(24-19(21)26)11-18(25)23-16-9-3-8-15-13(16)6-4-10-22-15/h1-10,17H,11H2,(H,23,25)(H3,21,24,26)/t17-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide?
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide has a molecular weight of 368.82 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 30287276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).