(Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide

C15H15N3O — CID 177001639

IUPAC(Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide
SMILESC/C=C\C(=N/C)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H15N3O/c1-3-6-13(16-2)15(19)18-12-9-4-7-11-8-5-10-17-14(11)12/h3-10H,1-2H3,(H,18,19)/b6-3-,16-13+
InChIKeyATZXNGYRKWZZPU-GTRGNCHWSA-N
MW253.31 g/mol
LogP2.82
Rot. Bonds3

About (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide

(Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide (PubChem CID 177001639) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide.

Molecular Properties

Compound Name(Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide
PubChem CID177001639
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide
SMILESC/C=C\C(=N/C)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H15N3O/c1-3-6-13(16-2)15(19)18-12-9-4-7-11-8-5-10-17-14(11)12/h3-10H,1-2H3,(H,18,19)/b6-3-,16-13+
InChIKeyATZXNGYRKWZZPU-GTRGNCHWSA-N
XLogP2.82
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
N-quinolin-8-ylhex-3-enamide
CID 151663814
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
N-quinolin-8-ylundecanamide
CID 3567928
N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide?
The IUPAC name of (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide (CID 177001639) is (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide.
What is the SMILES notation for (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide?
The canonical SMILES for (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide is C/C=C\C(=N/C)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide?
The InChIKey is ATZXNGYRKWZZPU-GTRGNCHWSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-6-13(16-2)15(19)18-12-9-4-7-11-8-5-10-17-14(11)12/h3-10H,1-2H3,(H,18,19)/b6-3-,16-13+.
What are the key properties of (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide?
(Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide has a molecular weight of 253.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylimino-N-quinolin-8-ylpent-3-enamide is sourced from PubChem (CID 177001639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).