2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine

C15H15N3 — CID 163634929

IUPAC2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine
SMILESC=C/N=C(\C=C/C)c1ccc2cccc(N)c2n1
InChIInChI=1S/C15H15N3/c1-3-6-13(17-4-2)14-10-9-11-7-5-8-12(16)15(11)18-14/h3-10H,2,16H2,1H3/b6-3-,17-13+
InChIKeyHZGKATGECUWWPJ-FOSHCWOUSA-N
MW237.31 g/mol
LogP3.33
Rot. Bonds3

About 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine

2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine (PubChem CID 163634929) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine.

Molecular Properties

Compound Name2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine
PubChem CID163634929
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine
SMILESC=C/N=C(\C=C/C)c1ccc2cccc(N)c2n1
InChIInChI=1S/C15H15N3/c1-3-6-13(17-4-2)14-10-9-11-7-5-8-12(16)15(11)18-14/h3-10H,2,16H2,1H3/b6-3-,17-13+
InChIKeyHZGKATGECUWWPJ-FOSHCWOUSA-N
XLogP3.33
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethenyl-1-phenylbut-2-en-1-imine
CID 130193571
8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide
CID 110487202
1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide
CID 142200336
ethane;quinolin-8-amine
CID 91158659
2-tert-butylquinolin-8-amine
CID 119094982
2-(aminomethyl)quinolin-8-amine
CID 11715256
ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine
CID 142201812
(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110487263
(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine
CID 142896113
2-N,2-N-diethylquinoline-2,8-diamine
CID 105469074
1-(8-hydroxyquinolin-2-yl)ethanone
CID 19067452
copper;bis(8-hydroxyquinoline-2-carboxylic acid)
CID 172842653

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine?
The IUPAC name of 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine (CID 163634929) is 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine.
What is the SMILES notation for 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine?
The canonical SMILES for 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine is C=C/N=C(\C=C/C)c1ccc2cccc(N)c2n1.
What is the InChIKey of 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine?
The InChIKey is HZGKATGECUWWPJ-FOSHCWOUSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-6-13(17-4-2)14-10-9-11-7-5-8-12(16)15(11)18-14/h3-10H,2,16H2,1H3/b6-3-,17-13+.
What are the key properties of 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine?
2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine has a molecular weight of 237.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine is sourced from PubChem (CID 163634929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).