(2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide

C20H22ClN3O2 — CID 98798492

IUPAC(2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)CN1c2ccccc2CC[C@H]1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-13(15-7-3-4-8-16(15)21)23-19(25)12-24-17-9-5-2-6-14(17)10-11-18(24)20(22)26/h2-9,13,18H,10-12H2,1H3,(H2,22,26)(H,23,25)/t13-,18+/m1/s1
InChIKeyGBGIPTWJXUUYOZ-ACJLOTCBSA-N
MW371.87 g/mol
LogP2.82
Rot. Bonds5

About (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide

(2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 98798492) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID98798492
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name(2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESC[C@@H](NC(=O)CN1c2ccccc2CC[C@H]1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-13(15-7-3-4-8-16(15)21)23-19(25)12-24-17-9-5-2-6-14(17)10-11-18(24)20(22)26/h2-9,13,18H,10-12H2,1H3,(H2,22,26)(H,23,25)/t13-,18+/m1/s1
InChIKeyGBGIPTWJXUUYOZ-ACJLOTCBSA-N
XLogP2.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 98716008
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 115969183
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 92508260
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 98553310
2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 84869554
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-[1-(2-chlorophenyl)ethyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 17396578

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide (CID 98798492) is (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide is C[C@@H](NC(=O)CN1c2ccccc2CC[C@H]1C(N)=O)c1ccccc1Cl.
What is the InChIKey of (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is GBGIPTWJXUUYOZ-ACJLOTCBSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-13(15-7-3-4-8-16(15)21)23-19(25)12-24-17-9-5-2-6-14(17)10-11-18(24)20(22)26/h2-9,13,18H,10-12H2,1H3,(H2,22,26)(H,23,25)/t13-,18+/m1/s1.
What are the key properties of (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide?
(2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 98798492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).