N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine

C21H16N4 — CID 71526769

IUPACN-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine
SMILESC(=C\Nc1cccc2cccnc12)\C=N\c1cccc2cccnc12
InChIInChI=1S/C21H16N4/c1-6-16-8-3-12-24-20(16)18(10-1)22-14-5-15-23-19-11-2-7-17-9-4-13-25-21(17)19/h1-15,22H/b14-5-,23-15+
InChIKeyNCSMVWJHRLLKON-SHCFTGHWSA-N
MW324.39 g/mol
LogP5.11
Rot. Bonds4

About N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine

N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine (PubChem CID 71526769) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine
PubChem CID71526769
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC NameN-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine
SMILESC(=C\Nc1cccc2cccnc12)\C=N\c1cccc2cccnc12
InChIInChI=1S/C21H16N4/c1-6-16-8-3-12-24-20(16)18(10-1)22-14-5-15-23-19-11-2-7-17-9-4-13-25-21(17)19/h1-15,22H/b14-5-,23-15+
InChIKeyNCSMVWJHRLLKON-SHCFTGHWSA-N
XLogP5.11
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
N-[6-(2-quinolin-8-yliminoethyl)-2-pyridinyl]quinolin-8-amine
CID 126613547
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
N-quinolin-8-ylhydroxylamine
CID 22011433
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108
N-methoxyquinolin-8-amine
CID 143696561
2-(quinolin-8-ylamino)benzonitrile
CID 28601412
1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one
CID 598063
8-azidoquinoline
CID 11321201
benzo[h]quinolin-10-ylhydrazine
CID 126501298
2-(quinolin-8-yliminomethyl)benzene-1,4-diol
CID 136851567
1-hydroxy-2-quinolin-8-ylguanidine
CID 62484126

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine?
The IUPAC name of N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine (CID 71526769) is N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine.
What is the SMILES notation for N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine?
The canonical SMILES for N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine is C(=C\Nc1cccc2cccnc12)\C=N\c1cccc2cccnc12.
What is the InChIKey of N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine?
The InChIKey is NCSMVWJHRLLKON-SHCFTGHWSA-N. The full InChI is InChI=1S/C21H16N4/c1-6-16-8-3-12-24-20(16)18(10-1)22-14-5-15-23-19-11-2-7-17-9-4-13-25-21(17)19/h1-15,22H/b14-5-,23-15+.
What are the key properties of N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine?
N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine has a molecular weight of 324.39 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine is sourced from PubChem (CID 71526769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).