[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid

C17H14ClFN4O3 — CID 135378497

IUPAC[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid
SMILESC[C@H](Nc1cc(NC(=O)O)ccn1)c1cc2cc(Cl)cc(F)c2[nH]c1=O
InChIInChI=1S/C17H14ClFN4O3/c1-8(21-14-7-11(2-3-20-14)22-17(25)26)12-5-9-4-10(18)6-13(19)15(9)23-16(12)24/h2-8H,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t8-/m0/s1
InChIKeyOCBUXBGYXVQMTD-QMMMGPOBSA-N
MW376.78 g/mol
LogP3.98
Rot. Bonds4

About [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid

[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid (PubChem CID 135378497) has the molecular formula C17H14ClFN4O3 and a molecular weight of 376.78 g/mol. Its IUPAC name is [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid
PubChem CID135378497
Molecular FormulaC17H14ClFN4O3
Molecular Weight376.78 g/mol
Exact Mass376.07
IUPAC Name[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid
SMILESC[C@H](Nc1cc(NC(=O)O)ccn1)c1cc2cc(Cl)cc(F)c2[nH]c1=O
InChIInChI=1S/C17H14ClFN4O3/c1-8(21-14-7-11(2-3-20-14)22-17(25)26)12-5-9-4-10(18)6-13(19)15(9)23-16(12)24/h2-8H,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t8-/m0/s1
InChIKeyOCBUXBGYXVQMTD-QMMMGPOBSA-N
XLogP3.98
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.78
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide
CID 118956139
6-chloro-8-fluoro-3-[1-[[4-(4-methylthiophen-3-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
CID 135378540
6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
CID 118956175
N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118954124
6-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methylpyridine-3-carbonitrile
CID 118955978
3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118956163
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
[2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid
CID 135378396
6-chloro-3-[1-[[4-(4-methylthiophen-3-yl)-2-pyridinyl]amino]ethyl]-1H-1,8-naphthyridin-2-one
CID 134364005
6-chloro-3-[(1S)-1-[[4-(4-methylthiophen-3-yl)-2-pyridinyl]amino]ethyl]-1H-1,8-naphthyridin-2-one
CID 118956109
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
6-chloro-3-[(1S)-1-[(3-fluoro-4-iodo-2-pyridinyl)amino]ethyl]-1H-quinolin-2-one;sulfane
CID 159425412

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid?
The IUPAC name of [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid (CID 135378497) is [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid.
What is the SMILES notation for [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid?
The canonical SMILES for [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid is C[C@H](Nc1cc(NC(=O)O)ccn1)c1cc2cc(Cl)cc(F)c2[nH]c1=O.
What is the InChIKey of [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid?
The InChIKey is OCBUXBGYXVQMTD-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H14ClFN4O3/c1-8(21-14-7-11(2-3-20-14)22-17(25)26)12-5-9-4-10(18)6-13(19)15(9)23-16(12)24/h2-8H,1H3,(H,23,24)(H,25,26)(H2,20,21,22)/t8-/m0/s1.
What are the key properties of [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid?
[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid has a molecular weight of 376.78 g/mol, XLogP of 3.98, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid is sourced from PubChem (CID 135378497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).