6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one

C20H18ClN5O2 — CID 134364024

IUPAC6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(C(C)Nc3cc(-n4ccnc4)ccn3)cc2cc1Cl
InChIInChI=1S/C20H18ClN5O2/c1-12(24-19-9-14(3-4-23-19)26-6-5-22-11-26)15-7-13-8-16(21)18(28-2)10-17(13)25-20(15)27/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyJCLJLHDPJRMXPG-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.94
Rot. Bonds5

About 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one

6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 134364024) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one
PubChem CID134364024
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(C(C)Nc3cc(-n4ccnc4)ccn3)cc2cc1Cl
InChIInChI=1S/C20H18ClN5O2/c1-12(24-19-9-14(3-4-23-19)26-6-5-22-11-26)15-7-13-8-16(21)18(28-2)10-17(13)25-20(15)27/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKeyJCLJLHDPJRMXPG-UHFFFAOYSA-N
XLogP3.94
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-7-methoxy-3-[(1S)-1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 118953545
CID 154597526
CID 154597526
methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
CID 118955725
2-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-methoxy-1,3-thiazole-5-carbonitrile
CID 122637680
3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118956163
8-chloro-3-[(1S)-1-[(4-imidazol-1-ylpyrimidin-2-yl)amino]ethyl]-1H-quinolin-2-one
CID 146221792
[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-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 135378370
6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 122637599
(4S,5R)-3-[4-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 146896400
N-[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]-2,2,2-trifluoroacetamide
CID 118965796
6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)pyrimidin-2-yl]amino]ethyl]-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 118953713

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one (CID 134364024) is 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one is COc1cc2[nH]c(=O)c(C(C)Nc3cc(-n4ccnc4)ccn3)cc2cc1Cl.
What is the InChIKey of 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is JCLJLHDPJRMXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-12(24-19-9-14(3-4-23-19)26-6-5-22-11-26)15-7-13-8-16(21)18(28-2)10-17(13)25-20(15)27/h3-12H,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one?
6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 395.85 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 134364024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).