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

C21H21ClN4O3 — CID 118967535

IUPAC3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one
SMILESC[C@H](Nc1cc(N2C(=O)COC2(C)C)ccn1)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C21H21ClN4O3/c1-12(16-9-13-8-14(22)4-5-17(13)25-20(16)28)24-18-10-15(6-7-23-18)26-19(27)11-29-21(26,2)3/h4-10,12H,11H2,1-3H3,(H,23,24)(H,25,28)/t12-/m0/s1
InChIKeyUVIMZMLDXZQJER-LBPRGKRZSA-N
MW412.88 g/mol
LogP3.85
Rot. Bonds4

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

3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one (PubChem CID 118967535) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one
PubChem CID118967535
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one
SMILESC[C@H](Nc1cc(N2C(=O)COC2(C)C)ccn1)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C21H21ClN4O3/c1-12(16-9-13-8-14(22)4-5-17(13)25-20(16)28)24-18-10-15(6-7-23-18)26-19(27)11-29-21(26,2)3/h4-10,12H,11H2,1-3H3,(H,23,24)(H,25,28)/t12-/m0/s1
InChIKeyUVIMZMLDXZQJER-LBPRGKRZSA-N
XLogP3.85
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118956163
6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
CID 134364006
6-chloro-3-[1-[[4-(4,5-dimethylimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953617
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
(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-[(1S)-1-[[4-(2-methylpyrrol-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953919
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
3-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methylpyrazole-5-carboxamide
CID 122637676
6-chloro-3-[(1S)-1-[[4-(4-methylimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953822
6-chloro-3-[(1S)-1-[(4-methylsulfonylpyrimidin-2-yl)amino]ethyl]-1H-quinolin-2-one
CID 118953989
2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 118953959

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one?
The IUPAC name of 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) is 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one?
The canonical SMILES for 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one is C[C@H](Nc1cc(N2C(=O)COC2(C)C)ccn1)c1cc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one?
The InChIKey is UVIMZMLDXZQJER-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-12(16-9-13-8-14(22)4-5-17(13)25-20(16)28)24-18-10-15(6-7-23-18)26-19(27)11-29-21(26,2)3/h4-10,12H,11H2,1-3H3,(H,23,24)(H,25,28)/t12-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one?
3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one has a molecular weight of 412.88 g/mol, XLogP of 3.85, 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]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 118967535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).