3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline

C20H16N2 — CID 91130675

IUPAC3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline
SMILESC=C1C=C2C=CC=CC2N=C1C1=NC2C=CC=CC2=CC1=C
InChIInChI=1S/C20H16N2/c1-13-11-15-7-3-5-9-17(15)21-19(13)20-14(2)12-16-8-4-6-10-18(16)22-20/h3-12,17-18H,1-2H2
InChIKeyRSRGBXDWUSXHQP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.85
Rot. Bonds1

About 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline

3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline (PubChem CID 91130675) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline.

Molecular Properties

Compound Name3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline
PubChem CID91130675
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline
SMILESC=C1C=C2C=CC=CC2N=C1C1=NC2C=CC=CC2=CC1=C
InChIInChI=1S/C20H16N2/c1-13-11-15-7-3-5-9-17(15)21-19(13)20-14(2)12-16-8-4-6-10-18(16)22-20/h3-12,17-18H,1-2H2
InChIKeyRSRGBXDWUSXHQP-UHFFFAOYSA-N
XLogP3.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylidene-2-(3-methylidene-8aH-1,8-naphthyridin-2-yl)-8aH-1,8-naphthyridine
CID 91161283
19,26-Diazadodecacyclo[38.2.2.22,5.26,9.210,13.214,17.218,21.224,27.228,31.232,35.236,39.020,25]dohexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-hentriacontaene
CID 138979324
4,5-Dimethylidene-1,4a-dihydroacridine
CID 89646434
4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine
CID 123685322
4-cyclohexa-1,5-dien-1-yl-7-[(2E,4Z)-hexa-2,4-dien-2-yl]-2,9-dimethyl-10a,10b-dihydro-1,10-phenanthroline
CID 139566470
2-Cyclohexa-1,5-dien-1-yl-7-methyl-4a,8a-dihydroquinoline
CID 143382104
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
31,34-Diazanonacyclo[20.8.4.22,5.26,9.210,13.214,17.218,21.025,33.028,32]tetratetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosaene
CID 153310594
29,32,35,38-Tetrazanonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
CID 153310605
3,10-Diazadecacyclo[30.2.2.22,5.28,11.212,15.216,19.220,23.224,27.228,31.04,9]pentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49-pentacosaene
CID 153310630
4,4a-Dihydroacridine
CID 154556089
20-Azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1,3,5,7,9,11,13,15,17,19,22,24-dodecaene
CID 163867502

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline?
The IUPAC name of 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline (CID 91130675) is 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline.
What is the SMILES notation for 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline?
The canonical SMILES for 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline is C=C1C=C2C=CC=CC2N=C1C1=NC2C=CC=CC2=CC1=C.
What is the InChIKey of 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline?
The InChIKey is RSRGBXDWUSXHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-13-11-15-7-3-5-9-17(15)21-19(13)20-14(2)12-16-8-4-6-10-18(16)22-20/h3-12,17-18H,1-2H2.
What are the key properties of 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline?
3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline has a molecular weight of 284.36 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(3-methylidene-8aH-quinolin-2-yl)-8aH-quinoline is sourced from PubChem (CID 91130675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).