7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one

C18H21ClN4O — CID 131949565

IUPAC7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCN(Cc1cnn(CC)c1)Cc1cc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C18H21ClN4O/c1-3-22(10-13-9-20-23(4-2)11-13)12-15-7-14-5-6-16(19)8-17(14)21-18(15)24/h5-9,11H,3-4,10,12H2,1-2H3,(H,21,24)
InChIKeyGGFHQWXQSAAZLE-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.42
Rot. Bonds6

About 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one

7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 131949565) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID131949565
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCCN(Cc1cnn(CC)c1)Cc1cc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C18H21ClN4O/c1-3-22(10-13-9-20-23(4-2)11-13)12-15-7-14-5-6-16(19)8-17(14)21-18(15)24/h5-9,11H,3-4,10,12H2,1-2H3,(H,21,24)
InChIKeyGGFHQWXQSAAZLE-UHFFFAOYSA-N
XLogP3.42
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 46993229
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile
CID 46989853
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 77085890
7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 95388340
3-[[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]methyl]-7-chloro-1H-quinolin-2-one
CID 135109757
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 131934877
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134710337
3-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195084
1-(3-chloro-5-fluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77079167
3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one
CID 119136099
7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one
CID 87164630

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one (CID 131949565) is 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one is CCN(Cc1cnn(CC)c1)Cc1cc2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is GGFHQWXQSAAZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-3-22(10-13-9-20-23(4-2)11-13)12-15-7-14-5-6-16(19)8-17(14)21-18(15)24/h5-9,11H,3-4,10,12H2,1-2H3,(H,21,24).
What are the key properties of 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one?
7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 344.85 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 131949565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).