3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one

C20H19ClN4O3 — CID 118956183

IUPAC3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2CCOC2=O)cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
InChIInChI=1S/C20H19ClN4O3/c1-11-7-15(25-5-6-28-20(25)27)10-18(22-11)23-12(2)16-9-13-8-14(21)3-4-17(13)24-19(16)26/h3-4,7-10,12H,5-6H2,1-2H3,(H,22,23)(H,24,26)/t12-/m0/s1
InChIKeyHYLFAZRHAPPLDU-LBPRGKRZSA-N
MW398.85 g/mol
LogP4.01
Rot. Bonds4

About 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 118956183) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID118956183
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2CCOC2=O)cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1
InChIInChI=1S/C20H19ClN4O3/c1-11-7-15(25-5-6-28-20(25)27)10-18(22-11)23-12(2)16-9-13-8-14(21)3-4-17(13)24-19(16)26/h3-4,7-10,12H,5-6H2,1-2H3,(H,22,23)(H,24,26)/t12-/m0/s1
InChIKeyHYLFAZRHAPPLDU-LBPRGKRZSA-N
XLogP4.01
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one
CID 118967535
3-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methylpyrazole-5-carboxamide
CID 122637676
3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118956163
3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one
CID 118955754
6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
CID 134364006
3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one
CID 118956123
6-chloro-3-[1-[[4-(2-oxopyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 146221954
N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide
CID 122637550
(4S)-3-[2-[1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 146221941
6-chloro-3-[1-[[4-(4,5-dimethylimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953617
6-chloro-3-[(1S)-1-[[4-(4-methylimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953822
6-chloro-3-[(1R)-1-[[5-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 122637390

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one (CID 118956183) is 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one is Cc1cc(N2CCOC2=O)cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1.
What is the InChIKey of 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is HYLFAZRHAPPLDU-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-11-7-15(25-5-6-28-20(25)27)10-18(22-11)23-12(2)16-9-13-8-14(21)3-4-17(13)24-19(16)26/h3-4,7-10,12H,5-6H2,1-2H3,(H,22,23)(H,24,26)/t12-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 398.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-4-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118956183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).