3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one

C19H18N2O2 — CID 166457978

IUPAC3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one
SMILESO=c1[nH]c2ccncc2cc1Cc1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C19H18N2O2/c22-18-14(11-15-12-20-9-6-17(15)21-18)10-13-2-4-16(5-3-13)19(23)7-1-8-19/h2-6,9,11-12,23H,1,7-8,10H2,(H,21,22)
InChIKeyCCDAHKCPDASQHM-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.89
Rot. Bonds3

About 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one

3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one (PubChem CID 166457978) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one
PubChem CID166457978
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one
SMILESO=c1[nH]c2ccncc2cc1Cc1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C19H18N2O2/c22-18-14(11-15-12-20-9-6-17(15)21-18)10-13-2-4-16(5-3-13)19(23)7-1-8-19/h2-6,9,11-12,23H,1,7-8,10H2,(H,21,22)
InChIKeyCCDAHKCPDASQHM-UHFFFAOYSA-N
XLogP2.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol
CID 166457899
3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one
CID 166457819
3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one
CID 166457892
3-[[4-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]phenyl]methyl]-1H-quinolin-2-one
CID 175839152
(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile
CID 170631767
3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
CID 166457923
2-(3-benzyl-2-oxo-1H-quinolin-6-yl)-N-propan-2-ylacetamide
CID 110675682
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
CID 166457788
4-(1-hydroxycyclobutyl)benzaldehyde
CID 156800908
3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
CID 166457969
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one (CID 166457978) is 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one is O=c1[nH]c2ccncc2cc1Cc1ccc(C2(O)CCC2)cc1.
What is the InChIKey of 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one?
The InChIKey is CCDAHKCPDASQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18-14(11-15-12-20-9-6-17(15)21-18)10-13-2-4-16(5-3-13)19(23)7-1-8-19/h2-6,9,11-12,23H,1,7-8,10H2,(H,21,22).
What are the key properties of 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one?
3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one has a molecular weight of 306.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 166457978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).