(E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide

C19H19N3O — CID 155797476

IUPAC(E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide
SMILESCn1cccc1/C=C/CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H19N3O/c1-22-14-6-10-16(22)9-2-3-12-18(23)21-17-11-4-7-15-8-5-13-20-19(15)17/h2,4-11,13-14H,3,12H2,1H3,(H,21,23)/b9-2+
InChIKeyIAXPUMUJXLKGIA-XNWCZRBMSA-N
MW305.38 g/mol
LogP4.01
Rot. Bonds5

About (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide

(E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide (PubChem CID 155797476) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide.

Molecular Properties

Compound Name(E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide
PubChem CID155797476
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide
SMILESCn1cccc1/C=C/CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H19N3O/c1-22-14-6-10-16(22)9-2-3-12-18(23)21-17-11-4-7-15-8-5-13-20-19(15)17/h2,4-11,13-14H,3,12H2,1H3,(H,21,23)/b9-2+
InChIKeyIAXPUMUJXLKGIA-XNWCZRBMSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-8-ylundecanamide
CID 3567928
3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide
CID 47074240
4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
CID 132575924
N-quinolin-8-ylhex-3-enamide
CID 151663814
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681597
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671
2-(4-pyrazol-1-ylphenyl)-N-quinolin-8-ylacetamide
CID 47035823
N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
CID 134160169

Frequently Asked Questions

What is the IUPAC name of (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide?
The IUPAC name of (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide (CID 155797476) is (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide.
What is the SMILES notation for (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide?
The canonical SMILES for (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide is Cn1cccc1/C=C/CCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide?
The InChIKey is IAXPUMUJXLKGIA-XNWCZRBMSA-N. The full InChI is InChI=1S/C19H19N3O/c1-22-14-6-10-16(22)9-2-3-12-18(23)21-17-11-4-7-15-8-5-13-20-19(15)17/h2,4-11,13-14H,3,12H2,1H3,(H,21,23)/b9-2+.
What are the key properties of (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide?
(E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide has a molecular weight of 305.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(1-methylpyrrol-2-yl)-N-quinolin-8-ylpent-4-enamide is sourced from PubChem (CID 155797476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).