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

C18H16ClFN4O2 — CID 118956139

IUPACN-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccnc(N[C@@H](C)c2cc3cc(Cl)cc(F)c3[nH]c2=O)c1
InChIInChI=1S/C18H16ClFN4O2/c1-9(22-16-8-13(3-4-21-16)23-10(2)25)14-6-11-5-12(19)7-15(20)17(11)24-18(14)26/h3-9H,1-2H3,(H,24,26)(H2,21,22,23,25)/t9-/m0/s1
InChIKeyXQNLNUFPCGCVEE-VIFPVBQESA-N
MW374.80 g/mol
LogP3.85
Rot. Bonds4

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

N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide (PubChem CID 118956139) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide
PubChem CID118956139
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC NameN-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccnc(N[C@@H](C)c2cc3cc(Cl)cc(F)c3[nH]c2=O)c1
InChIInChI=1S/C18H16ClFN4O2/c1-9(22-16-8-13(3-4-21-16)23-10(2)25)14-6-11-5-12(19)7-15(20)17(11)24-18(14)26/h3-9H,1-2H3,(H,24,26)(H2,21,22,23,25)/t9-/m0/s1
InChIKeyXQNLNUFPCGCVEE-VIFPVBQESA-N
XLogP3.85
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid
CID 135378497
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
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
N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide
CID 122637550
6-chloro-3-[(1S)-1-[(3-fluoro-4-iodo-2-pyridinyl)amino]ethyl]-1H-quinolin-2-one;sulfane
CID 159425412
6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
CID 134364006

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide?
The IUPAC name of N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide (CID 118956139) is N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide?
The canonical SMILES for N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide is CC(=O)Nc1ccnc(N[C@@H](C)c2cc3cc(Cl)cc(F)c3[nH]c2=O)c1.
What is the InChIKey of N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide?
The InChIKey is XQNLNUFPCGCVEE-VIFPVBQESA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c1-9(22-16-8-13(3-4-21-16)23-10(2)25)14-6-11-5-12(19)7-15(20)17(11)24-18(14)26/h3-9H,1-2H3,(H,24,26)(H2,21,22,23,25)/t9-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide?
N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide has a molecular weight of 374.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide is sourced from PubChem (CID 118956139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).