5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H15F3N2O — CID 106210878

IUPAC5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(6-7-12)18-10-3-1-2-9-8(10)4-5-11(19)17-9/h4-5,10,18H,1-3,6-7H2,(H,17,19)
InChIKeyLSCJZUYAZYJPFZ-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.44
Rot. Bonds2

About 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 106210878) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID106210878
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)12(6-7-12)18-10-3-1-2-9-8(10)4-5-11(19)17-9/h4-5,10,18H,1-3,6-7H2,(H,17,19)
InChIKeyLSCJZUYAZYJPFZ-UHFFFAOYSA-N
XLogP2.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-amino-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 5148061
5-(Butylamino)-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 10656568
6-Amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 118738729
6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 118744521
1-(Cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118745052
5-Amino-1,2,5,6,7,8-hexahydroquinolin-2-one hydrochloride
CID 16238630
6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 118744520
4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
CID 69330190
5-Amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 129078756
5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 156504598
5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 156504691
5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 176905890

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 106210878) is 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NC1(C(F)(F)F)CC1.
What is the InChIKey of 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is LSCJZUYAZYJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)12(6-7-12)18-10-3-1-2-9-8(10)4-5-11(19)17-9/h4-5,10,18H,1-3,6-7H2,(H,17,19).
What are the key properties of 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 272.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)cyclopropyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 106210878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).