8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one

C20H20ClN3O — CID 97109749

IUPAC8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
SMILESCN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)[C@H](c1ccccn1)C1CC1
InChIInChI=1S/C20H20ClN3O/c1-24(20(13-8-9-13)17-7-2-3-10-22-17)12-14-11-18(25)15-5-4-6-16(21)19(15)23-14/h2-7,10-11,13,20H,8-9,12H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyLXVMZOMXCUBTBF-FQEVSTJZSA-N
MW353.85 g/mol
LogP4.16
Rot. Bonds5

About 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one

8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one (PubChem CID 97109749) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
PubChem CID97109749
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
SMILESCN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)[C@H](c1ccccn1)C1CC1
InChIInChI=1S/C20H20ClN3O/c1-24(20(13-8-9-13)17-7-2-3-10-22-17)12-14-11-18(25)15-5-4-6-16(21)19(15)23-14/h2-7,10-11,13,20H,8-9,12H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyLXVMZOMXCUBTBF-FQEVSTJZSA-N
XLogP4.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
CID 97109748
3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one
CID 95216100
7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95219462
2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135896092
8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one
CID 72894620
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride
CID 154912594
4-[[[cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 131899290
N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-N-methyl-2-pyrazol-1-ylethanamine
CID 125175859
3-[[2-[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]acetyl]amino]benzoic acid
CID 124750079
N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
CID 77098209
1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide
CID 135090544
N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-N,1,3,7-tetramethylindole-2-carboxamide
CID 99927995

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one (CID 97109749) is 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one is CN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)[C@H](c1ccccn1)C1CC1.
What is the InChIKey of 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one?
The InChIKey is LXVMZOMXCUBTBF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-24(20(13-8-9-13)17-7-2-3-10-22-17)12-14-11-18(25)15-5-4-6-16(21)19(15)23-14/h2-7,10-11,13,20H,8-9,12H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one?
8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one has a molecular weight of 353.85 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97109749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).