2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one

C20H20FN3O — CID 97137062

IUPAC2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCc1cccnc1[C@@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)C1CC1
InChIInChI=1S/C20H20FN3O/c1-12-3-2-8-22-19(12)20(13-4-5-13)23-11-15-10-18(25)16-9-14(21)6-7-17(16)24-15/h2-3,6-10,13,20,23H,4-5,11H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyVAVAUBAAKOWQMU-FQEVSTJZSA-N
MW337.40 g/mol
LogP3.61
Rot. Bonds5

About 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one

2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one (PubChem CID 97137062) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
PubChem CID97137062
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCc1cccnc1[C@@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)C1CC1
InChIInChI=1S/C20H20FN3O/c1-12-3-2-8-22-19(12)20(13-4-5-13)23-11-15-10-18(25)16-9-14(21)6-7-17(16)24-15/h2-3,6-10,13,20,23H,4-5,11H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyVAVAUBAAKOWQMU-FQEVSTJZSA-N
XLogP3.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one with MolForge

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Related Compounds

N-[(4-ethylcyclohexyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 64776463
6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one
CID 72847538
2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one
CID 72846574
2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one
CID 134080266
6-fluoro-2-[[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1H-quinolin-4-one
CID 72842668
[cyclobutyl-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209352
ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
CID 23992270
2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
CID 72904106
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 125171906
6-fluoro-2-[[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]methyl]-1H-quinolin-4-one
CID 97190797
[cycloheptyl-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209201
6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one
CID 97152784

Frequently Asked Questions

What is the IUPAC name of 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one (CID 97137062) is 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one is Cc1cccnc1[C@@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)C1CC1.
What is the InChIKey of 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one?
The InChIKey is VAVAUBAAKOWQMU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-12-3-2-8-22-19(12)20(13-4-5-13)23-11-15-10-18(25)16-9-14(21)6-7-17(16)24-15/h2-3,6-10,13,20,23H,4-5,11H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one?
2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 97137062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).