3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one

C19H16N2O — CID 166457892

IUPAC3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one
SMILESC=C/C=c1/cc(Cc2cc3cnccc3[nH]c2=O)ccc1=C
InChIInChI=1S/C19H16N2O/c1-3-4-15-9-14(6-5-13(15)2)10-16-11-17-12-20-8-7-18(17)21-19(16)22/h3-9,11-12H,1-2,10H2,(H,21,22)/b15-4-
InChIKeyWPRWHXNDHYFBIA-TVPGTPATSA-N
MW288.35 g/mol
LogP1.89
Rot. Bonds3

About 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one

3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one (PubChem CID 166457892) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one
PubChem CID166457892
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one
SMILESC=C/C=c1/cc(Cc2cc3cnccc3[nH]c2=O)ccc1=C
InChIInChI=1S/C19H16N2O/c1-3-4-15-9-14(6-5-13(15)2)10-16-11-17-12-20-8-7-18(17)21-19(16)22/h3-9,11-12H,1-2,10H2,(H,21,22)/b15-4-
InChIKeyWPRWHXNDHYFBIA-TVPGTPATSA-N
XLogP1.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-1H-1,6-naphthyridin-2-one
CID 166457819
3-[[4-(1-hydroxycyclobutyl)phenyl]methyl]-1H-1,6-naphthyridin-2-one
CID 166457978
(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile
CID 170631767
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
2-[(3Z)-3-[(Z)-but-2-enylidene]-4-methylidenecyclohexa-1,5-dien-1-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 163691894
3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
CID 166457923
3-[3-(dimethylamino)prop-2-enoyl]-1H-1,6-naphthyridin-2-one
CID 4101451
3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
CID 167291231
5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166458088
N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide
CID 144559850
3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one
CID 166457897
2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile
CID 166457794

Frequently Asked Questions

What is the IUPAC name of 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one (CID 166457892) is 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one is C=C/C=c1/cc(Cc2cc3cnccc3[nH]c2=O)ccc1=C.
What is the InChIKey of 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one?
The InChIKey is WPRWHXNDHYFBIA-TVPGTPATSA-N. The full InChI is InChI=1S/C19H16N2O/c1-3-4-15-9-14(6-5-13(15)2)10-16-11-17-12-20-8-7-18(17)21-19(16)22/h3-9,11-12H,1-2,10H2,(H,21,22)/b15-4-.
What are the key properties of 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one?
3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 166457892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).