6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one

C13H15FN2O2 — CID 68985503

IUPAC6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one
SMILESCOCCCNc1cc2[nH]c(=O)ccc2cc1F
InChIInChI=1S/C13H15FN2O2/c1-18-6-2-5-15-12-8-11-9(7-10(12)14)3-4-13(17)16-11/h3-4,7-8,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyPMHHRXYFTNWZHL-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.12
Rot. Bonds5

About 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one

6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one (PubChem CID 68985503) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one
PubChem CID68985503
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one
SMILESCOCCCNc1cc2[nH]c(=O)ccc2cc1F
InChIInChI=1S/C13H15FN2O2/c1-18-6-2-5-15-12-8-11-9(7-10(12)14)3-4-13(17)16-11/h3-4,7-8,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyPMHHRXYFTNWZHL-UHFFFAOYSA-N
XLogP2.12
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[2-(diethylamino)ethylamino]-6-fluoro-1H-quinolin-2-one
CID 68989429
3-fluoro-4-(4-methoxybutylamino)benzoic acid
CID 62710161
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 3172236
2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline
CID 103867385
7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
CID 118707059
2,3,4-trifluoro-N-(4-methoxybutyl)aniline
CID 115735659
2,6-difluoro-N-(3-methoxypropyl)aniline
CID 60926433
4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide
CID 133423424
7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one
CID 11379998

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one (CID 68985503) is 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one is COCCCNc1cc2[nH]c(=O)ccc2cc1F.
What is the InChIKey of 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one?
The InChIKey is PMHHRXYFTNWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-18-6-2-5-15-12-8-11-9(7-10(12)14)3-4-13(17)16-11/h3-4,7-8,15H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one?
6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one has a molecular weight of 250.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(3-methoxypropylamino)-1H-quinolin-2-one is sourced from PubChem (CID 68985503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).