2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline

C19H21N3 — CID 145472238

IUPAC2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline
SMILESC=C1CCc2ccc(CNC(=C)c3ccccc3N)cc2N1
InChIInChI=1S/C19H21N3/c1-13-7-9-16-10-8-15(11-19(16)22-13)12-21-14(2)17-5-3-4-6-18(17)20/h3-6,8,10-11,21-22H,1-2,7,9,12,20H2
InChIKeyBVYHPSZLQCASJY-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.90
Rot. Bonds4

About 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline

2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline (PubChem CID 145472238) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline.

Molecular Properties

Compound Name2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline
PubChem CID145472238
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline
SMILESC=C1CCc2ccc(CNC(=C)c3ccccc3N)cc2N1
InChIInChI=1S/C19H21N3/c1-13-7-9-16-10-8-15(11-19(16)22-13)12-21-14(2)17-5-3-4-6-18(17)20/h3-6,8,10-11,21-22H,1-2,7,9,12,20H2
InChIKeyBVYHPSZLQCASJY-UHFFFAOYSA-N
XLogP3.90
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline?
The IUPAC name of 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline (CID 145472238) is 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline.
What is the SMILES notation for 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline?
The canonical SMILES for 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline is C=C1CCc2ccc(CNC(=C)c3ccccc3N)cc2N1.
What is the InChIKey of 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline?
The InChIKey is BVYHPSZLQCASJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-13-7-9-16-10-8-15(11-19(16)22-13)12-21-14(2)17-5-3-4-6-18(17)20/h3-6,8,10-11,21-22H,1-2,7,9,12,20H2.
What are the key properties of 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline?
2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline has a molecular weight of 291.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methylamino]ethenyl]aniline is sourced from PubChem (CID 145472238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).