7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one

C15H14ClF3N2O — CID 21137429

IUPAC7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one
SMILESCN1CCC2=C(Nc3ccc(Cl)cc3C2(C)C(F)(F)F)C1=O
InChIInChI=1S/C15H14ClF3N2O/c1-14(15(17,18)19)9-5-6-21(2)13(22)12(9)20-11-4-3-8(16)7-10(11)14/h3-4,7,20H,5-6H2,1-2H3
InChIKeyWPHAWSOUBRNLDT-UHFFFAOYSA-N
MW330.74 g/mol
LogP3.70
Rot. Bonds

About 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one

7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one (PubChem CID 21137429) has the molecular formula C15H14ClF3N2O and a molecular weight of 330.74 g/mol. Its IUPAC name is 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one.

Molecular Properties

Compound Name7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one
PubChem CID21137429
Molecular FormulaC15H14ClF3N2O
Molecular Weight330.74 g/mol
Exact Mass330.07
IUPAC Name7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one
SMILESCN1CCC2=C(Nc3ccc(Cl)cc3C2(C)C(F)(F)F)C1=O
InChIInChI=1S/C15H14ClF3N2O/c1-14(15(17,18)19)9-5-6-21(2)13(22)12(9)20-11-4-3-8(16)7-10(11)14/h3-4,7,20H,5-6H2,1-2H3
InChIKeyWPHAWSOUBRNLDT-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one with MolForge

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Related Compounds

(3R)-7-chloro-4-hydroxy-3,5-dimethyl-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
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7-chloro-5-(cyclopropylmethylsulfanyl)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
CID 22013712
bis(6-chloro-4-methyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one);4,6-dichloro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one;methane
CID 157266050
(4S)-6-chloro-4-(3-methylbut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
CID 15491067
7-chloro-5-(3-methylbutyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one
CID 18416064
1-[(3S,4R)-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]pyrrolidin-2-one
CID 67870255
7-chloro-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one
CID 18416102
5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 102474299
7-chloro-5-(cyclopropylmethoxy)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
CID 22013696
6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete
CID 67873488
(5R)-7-chloro-5-[(E)-2-cyclopropylethenyl]-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one
CID 70194776
(4S)-6-chloro-4-(3-methylbut-3-en-1-ynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
CID 76969391

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one?
The IUPAC name of 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one (CID 21137429) is 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one.
What is the SMILES notation for 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one?
The canonical SMILES for 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one is CN1CCC2=C(Nc3ccc(Cl)cc3C2(C)C(F)(F)F)C1=O.
What is the InChIKey of 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one?
The InChIKey is WPHAWSOUBRNLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O/c1-14(15(17,18)19)9-5-6-21(2)13(22)12(9)20-11-4-3-8(16)7-10(11)14/h3-4,7,20H,5-6H2,1-2H3.
What are the key properties of 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one?
7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one has a molecular weight of 330.74 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,5-dimethyl-5-(trifluoromethyl)-4,10-dihydro-3H-benzo[b][1,7]naphthyridin-1-one is sourced from PubChem (CID 21137429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).