acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine

C20H24N2 — CID 145472073

IUPACacetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine
SMILESC#C.C=C1CCc2ccc(NC(=C)C(/C=C\C)=C/C)cc2N1
InChIInChI=1S/C18H22N2.C2H2/c1-5-7-15(6-2)14(4)20-17-11-10-16-9-8-13(3)19-18(16)12-17;1-2/h5-7,10-12,19-20H,3-4,8-9H2,1-2H3;1-2H/b7-5-,15-6+;
InChIKeySDCJQCUPVPKVRS-GFWSULSGSA-N
MW292.43 g/mol
LogP5.26
Rot. Bonds4

About acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine

acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine (PubChem CID 145472073) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine.

Molecular Properties

Compound Nameacetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine
PubChem CID145472073
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Nameacetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine
SMILESC#C.C=C1CCc2ccc(NC(=C)C(/C=C\C)=C/C)cc2N1
InChIInChI=1S/C18H22N2.C2H2/c1-5-7-15(6-2)14(4)20-17-11-10-16-9-8-13(3)19-18(16)12-17;1-2/h5-7,10-12,19-20H,3-4,8-9H2,1-2H3;1-2H/b7-5-,15-6+;
InChIKeySDCJQCUPVPKVRS-GFWSULSGSA-N
XLogP5.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine?
The IUPAC name of acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine (CID 145472073) is acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine.
What is the SMILES notation for acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine?
The canonical SMILES for acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine is C#C.C=C1CCc2ccc(NC(=C)C(/C=C\C)=C/C)cc2N1.
What is the InChIKey of acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine?
The InChIKey is SDCJQCUPVPKVRS-GFWSULSGSA-N. The full InChI is InChI=1S/C18H22N2.C2H2/c1-5-7-15(6-2)14(4)20-17-11-10-16-9-8-13(3)19-18(16)12-17;1-2/h5-7,10-12,19-20H,3-4,8-9H2,1-2H3;1-2H/b7-5-,15-6+;.
What are the key properties of acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine?
acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine has a molecular weight of 292.43 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]-2-methylidene-3,4-dihydro-1H-quinolin-7-amine is sourced from PubChem (CID 145472073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).