3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine

C18H14N4 — CID 91161283

IUPAC3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine
SMILESC=C1C=C2C=CC=NC2N=C1C1=NC2N=CC=CC2=CC1=C
InChIInChI=1S/C18H14N4/c1-11-9-13-5-3-7-19-17(13)21-15(11)16-12(2)10-14-6-4-8-20-18(14)22-16/h3-10,17-18H,1-2H2
InChIKeyNSVSUOVJNPMEIV-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.79
Rot. Bonds1

About 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine

3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine (PubChem CID 91161283) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine.

Molecular Properties

Compound Name3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine
PubChem CID91161283
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine
SMILESC=C1C=C2C=CC=NC2N=C1C1=NC2N=CC=CC2=CC1=C
InChIInChI=1S/C18H14N4/c1-11-9-13-5-3-7-19-17(13)21-15(11)16-12(2)10-14-6-4-8-20-18(14)22-16/h3-10,17-18H,1-2H2
InChIKeyNSVSUOVJNPMEIV-UHFFFAOYSA-N
XLogP2.79
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline
CID 91130675
8,9-Dihydroquinolino[6,7-g]quinoline
CID 130290775
6,17-Diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,20-decaene
CID 130291389
8,15,31,34-Tetrazanonacyclo[20.8.4.22,5.218,21.16,10.113,17.09,14.025,33.028,32]tetraconta-1,3,5,7,9(14),10(38),11,13(37),15,17,19,21,23,25,27,29,31,33,35,39-icosaene
CID 153310592
(7-Cyanoiminopyren-2-ylidene)cyanamide
CID 169971372
CID 15939512
CID 15939512
1,10-Phenanthroline-1,10-diium
CID 101463036
CID 102325540
CID 102325540
6,7,8,10b-Tetrahydrobenzo[h]quinoline
CID 136161646
2,8-Dihydro-1,7-naphthyridine
CID 173072299

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine?
The IUPAC name of 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine (CID 91161283) is 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine.
What is the SMILES notation for 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine?
The canonical SMILES for 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine is C=C1C=C2C=CC=NC2N=C1C1=NC2N=CC=CC2=CC1=C.
What is the InChIKey of 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine?
The InChIKey is NSVSUOVJNPMEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-11-9-13-5-3-7-19-17(13)21-15(11)16-12(2)10-14-6-4-8-20-18(14)22-16/h3-10,17-18H,1-2H2.
What are the key properties of 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine?
3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine has a molecular weight of 286.34 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine is sourced from PubChem (CID 91161283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).