7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one

C15H20FN3O — CID 79458946

IUPAC7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CCCC(Nc2cc3c(cc2F)CCC(=O)N3)C1
InChIInChI=1S/C15H20FN3O/c16-12-6-9-4-5-15(20)19-13(9)8-14(12)18-11-3-1-2-10(17)7-11/h6,8,10-11,18H,1-5,7,17H2,(H,19,20)
InChIKeyKCWRYULHNCQWPV-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.39
Rot. Bonds2

About 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one

7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 79458946) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID79458946
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC1CCCC(Nc2cc3c(cc2F)CCC(=O)N3)C1
InChIInChI=1S/C15H20FN3O/c16-12-6-9-4-5-15(20)19-13(9)8-14(12)18-11-3-1-2-10(17)7-11/h6,8,10-11,18H,1-5,7,17H2,(H,19,20)
InChIKeyKCWRYULHNCQWPV-UHFFFAOYSA-N
XLogP2.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopentane-1-carboxamide
CID 66009357
5-[(3-aminocyclohexyl)amino]-6-chloro-1,3-dihydroindol-2-one
CID 79458648
6-amino-7-(oxan-3-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 63360200
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459495
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
7-amino-6-[(3-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 114543241
6-fluoro-7-[(2,4,4-trimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106662061
6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 107131652
6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 80560774
tert-butyl 3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]azetidine-1-carboxylate
CID 113231803

Frequently Asked Questions

What is the IUPAC name of 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 79458946) is 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is NC1CCCC(Nc2cc3c(cc2F)CCC(=O)N3)C1.
What is the InChIKey of 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KCWRYULHNCQWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-12-6-9-4-5-15(20)19-13(9)8-14(12)18-11-3-1-2-10(17)7-11/h6,8,10-11,18H,1-5,7,17H2,(H,19,20).
What are the key properties of 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 277.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 79458946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).