3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one

C16H13BrClN3O — CID 118956163

IUPAC3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
SMILESCC(Nc1cc(Br)ccn1)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C16H13BrClN3O/c1-9(20-15-8-11(17)4-5-19-15)13-7-10-6-12(18)2-3-14(10)21-16(13)22/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyNURAXIFTJVMBBZ-UHFFFAOYSA-N
MW378.66 g/mol
LogP4.51
Rot. Bonds3

About 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one

3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one (PubChem CID 118956163) has the molecular formula C16H13BrClN3O and a molecular weight of 378.66 g/mol. Its IUPAC name is 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
PubChem CID118956163
Molecular FormulaC16H13BrClN3O
Molecular Weight378.66 g/mol
Exact Mass376.99
IUPAC Name3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
SMILESCC(Nc1cc(Br)ccn1)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C16H13BrClN3O/c1-9(20-15-8-11(17)4-5-19-15)13-7-10-6-12(18)2-3-14(10)21-16(13)22/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyNURAXIFTJVMBBZ-UHFFFAOYSA-N
XLogP4.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-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-[(4-methylsulfonylpyrimidin-2-yl)amino]ethyl]-1H-quinolin-2-one
CID 118953989
6-chloro-3-[(1S)-1-[(3-fluoro-4-iodo-2-pyridinyl)amino]ethyl]-1H-quinolin-2-one;sulfane
CID 159425412
2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 118953959
3-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methylpyrazole-5-carboxamide
CID 122637676
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-[(1S)-1-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953998
6-chloro-3-[(1S)-1-[[4-(2-methylpropylsulfonylmethyl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953733
6-chloro-3-[(1S)-1-[[4-(1,1-dioxothiolan-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953613
3-[(1S)-1-[(4-benzylsulfanylpyrimidin-2-yl)amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118954139

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one?
The IUPAC name of 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one (CID 118956163) is 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one.
What is the SMILES notation for 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one?
The canonical SMILES for 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one is CC(Nc1cc(Br)ccn1)c1cc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one?
The InChIKey is NURAXIFTJVMBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O/c1-9(20-15-8-11(17)4-5-19-15)13-7-10-6-12(18)2-3-14(10)21-16(13)22/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one?
3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one has a molecular weight of 378.66 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one is sourced from PubChem (CID 118956163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).