(1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine

C15H15ClN4 — CID 168937046

IUPAC(1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine
SMILESC=N/C=C(\C=CC)NCc1cc(Cl)c2nccnc2c1
InChIInChI=1S/C15H15ClN4/c1-3-4-12(10-17-2)20-9-11-7-13(16)15-14(8-11)18-5-6-19-15/h3-8,10,20H,2,9H2,1H3/b4-3?,12-10+
InChIKeyJYHMSIOYJNOBRE-PBVFASDZSA-N
MW286.77 g/mol
LogP3.49
Rot. Bonds5

About (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine

(1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine (PubChem CID 168937046) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine
PubChem CID168937046
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name(1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine
SMILESC=N/C=C(\C=CC)NCc1cc(Cl)c2nccnc2c1
InChIInChI=1S/C15H15ClN4/c1-3-4-12(10-17-2)20-9-11-7-13(16)15-14(8-11)18-5-6-19-15/h3-8,10,20H,2,9H2,1H3/b4-3?,12-10+
InChIKeyJYHMSIOYJNOBRE-PBVFASDZSA-N
XLogP3.49
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azetidin-3-yloxy)-N-[(8-chloroquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine
CID 168937315
N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
CID 168937373
(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
CID 131243847
2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
CID 110672201
N-(quinoxalin-6-ylmethyl)propanamide
CID 110672190
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylidenehepta-3,5-dienyl)piperazine-1-carboxamide
CID 123993089
1-(8-chloroquinoxalin-6-yl)-2-piperidin-1-ylethanone
CID 134292411
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
(3E,5Z)-N-[(6-chloro-3-pyridinyl)methyl]octa-1,3,5,7-tetraen-4-amine;ethane
CID 143694178
tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
CID 20610080

Frequently Asked Questions

What is the IUPAC name of (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine?
The IUPAC name of (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine (CID 168937046) is (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine.
What is the SMILES notation for (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine?
The canonical SMILES for (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine is C=N/C=C(\C=CC)NCc1cc(Cl)c2nccnc2c1.
What is the InChIKey of (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine?
The InChIKey is JYHMSIOYJNOBRE-PBVFASDZSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-3-4-12(10-17-2)20-9-11-7-13(16)15-14(8-11)18-5-6-19-15/h3-8,10,20H,2,9H2,1H3/b4-3?,12-10+.
What are the key properties of (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine?
(1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine has a molecular weight of 286.77 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[(8-chloroquinoxalin-6-yl)methyl]-1-(methylideneamino)penta-1,3-dien-2-amine is sourced from PubChem (CID 168937046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).