(2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium

C19H17N2+ — CID 143201385

IUPAC(2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium
SMILESC=Cc1ccccc1/C=[NH+]/Cc1ccnc2ccccc12
InChIInChI=1S/C19H16N2/c1-2-15-7-3-4-8-16(15)13-20-14-17-11-12-21-19-10-6-5-9-18(17)19/h2-13H,1,14H2/p+1/b20-13+
InChIKeyKGCLUXIMCOZWRM-DEDYPNTBSA-O
MW273.36 g/mol
LogP2.58
Rot. Bonds4

About (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium

(2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium (PubChem CID 143201385) has the molecular formula C19H17N2+ and a molecular weight of 273.36 g/mol. Its IUPAC name is (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium.

Molecular Properties

Compound Name(2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium
PubChem CID143201385
Molecular FormulaC19H17N2+
Molecular Weight273.36 g/mol
Exact Mass273.14
IUPAC Name(2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium
SMILESC=Cc1ccccc1/C=[NH+]/Cc1ccnc2ccccc12
InChIInChI=1S/C19H16N2/c1-2-15-7-3-4-8-16(15)13-20-14-17-11-12-21-19-10-6-5-9-18(17)19/h2-13H,1,14H2/p+1/b20-13+
InChIKeyKGCLUXIMCOZWRM-DEDYPNTBSA-O
XLogP2.58
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(quinolin-4-ylmethyl)ethenamine
CID 166934821
6-ethenyl-5-ethylquinoline
CID 166703553
4-(3-methylidenepent-4-enyl)quinoline
CID 87131912
4-(quinolin-4-ylmethyl)phenol
CID 83128983
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915
3-quinolin-4-ylpropan-1-ol
CID 21218471
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
4-(pyridin-1-ium-1-ylmethyl)quinoline
CID 3826944
4-quinolin-4-ylbutan-1-amine
CID 10559963
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
4-(2-ethylbutyl)quinoline
CID 143495355

Frequently Asked Questions

What is the IUPAC name of (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium?
The IUPAC name of (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium (CID 143201385) is (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium.
What is the SMILES notation for (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium?
The canonical SMILES for (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium is C=Cc1ccccc1/C=[NH+]/Cc1ccnc2ccccc12.
What is the InChIKey of (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium?
The InChIKey is KGCLUXIMCOZWRM-DEDYPNTBSA-O. The full InChI is InChI=1S/C19H16N2/c1-2-15-7-3-4-8-16(15)13-20-14-17-11-12-21-19-10-6-5-9-18(17)19/h2-13H,1,14H2/p+1/b20-13+.
What are the key properties of (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium?
(2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium has a molecular weight of 273.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylphenyl)methylidene-(quinolin-4-ylmethyl)azanium is sourced from PubChem (CID 143201385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).