1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

C19H15ClF3N3O2 — CID 162518372

IUPAC1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESO=c1cc(N2CCC(O)C2)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c20-13-3-1-2-4-14(13)26-17(28)9-15(25-8-7-11(27)10-25)12-5-6-16(19(21,22)23)24-18(12)26/h1-6,9,11,27H,7-8,10H2
InChIKeyYHMIAIIPWIIVKW-UHFFFAOYSA-N
MW409.80 g/mol
LogP3.63
Rot. Bonds2

About 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 162518372) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID162518372
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESO=c1cc(N2CCC(O)C2)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c20-13-3-1-2-4-14(13)26-17(28)9-15(25-8-7-11(27)10-25)12-5-6-16(19(21,22)23)24-18(12)26/h1-6,9,11,27H,7-8,10H2
InChIKeyYHMIAIIPWIIVKW-UHFFFAOYSA-N
XLogP3.63
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one
CID 175328918
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 148514727
1-[2-chloro-3-[(2R,3R)-2-[[1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-3-hydroxycyclobutyl]phenyl]-4-[[(1R,2R)-2-hydroxycyclobutyl]amino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 154933517
5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 164562834
5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150763
1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150706
1-(2-chlorophenyl)-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 156541994
1-(2-chlorophenyl)azetidin-3-ol
CID 170732975
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-ol
CID 169148079
1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 55132124
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
1-(2-chloro-3-pyridinyl)-4-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 161378012

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 162518372) is 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is O=c1cc(N2CCC(O)C2)c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is YHMIAIIPWIIVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c20-13-3-1-2-4-14(13)26-17(28)9-15(25-8-7-11(27)10-25)12-5-6-16(19(21,22)23)24-18(12)26/h1-6,9,11,27H,7-8,10H2.
What are the key properties of 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 409.80 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(3-hydroxypyrrolidin-1-yl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 162518372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).