3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one

C17H13N3O2 — CID 166457819

IUPAC3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one
SMILESO=C1NCc2ccc(Cc3cc4cnccc4[nH]c3=O)cc21
InChIInChI=1S/C17H13N3O2/c21-16-12(7-13-8-18-4-3-15(13)20-16)5-10-1-2-11-9-19-17(22)14(11)6-10/h1-4,6-8H,5,9H2,(H,19,22)(H,20,21)
InChIKeyNQILWQXIOHLRKR-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.76
Rot. Bonds2

About 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one

3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one (PubChem CID 166457819) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one
PubChem CID166457819
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one
SMILESO=C1NCc2ccc(Cc3cc4cnccc4[nH]c3=O)cc21
InChIInChI=1S/C17H13N3O2/c21-16-12(7-13-8-18-4-3-15(13)20-16)5-10-1-2-11-9-19-17(22)14(11)6-10/h1-4,6-8H,5,9H2,(H,19,22)(H,20,21)
InChIKeyNQILWQXIOHLRKR-UHFFFAOYSA-N
XLogP1.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one
CID 166457978
3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one
CID 166457892
(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile
CID 170631767
3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-3H-1,6-naphthyridin-2-one
CID 172637312
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
6-(4-chlorobutyl)-2,3-dihydroisoindol-1-one
CID 69164717
2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
CID 141389708
3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one
CID 166457897
ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
CID 166457788
3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
CID 166457969
6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one
CID 175607322
1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide
CID 166429000

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one (CID 166457819) is 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one is O=C1NCc2ccc(Cc3cc4cnccc4[nH]c3=O)cc21.
What is the InChIKey of 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one?
The InChIKey is NQILWQXIOHLRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16-12(7-13-8-18-4-3-15(13)20-16)5-10-1-2-11-9-19-17(22)14(11)6-10/h1-4,6-8H,5,9H2,(H,19,22)(H,20,21).
What are the key properties of 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one?
3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one has a molecular weight of 291.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 166457819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).