8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane

C17H25N3O — CID 144832127

IUPAC8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane
SMILESC.C=C(CN)c1cccc2c(C(=O)NC)ccnc12.CC
InChIInChI=1S/C14H15N3O.C2H6.CH4/c1-9(8-15)10-4-3-5-11-12(14(18)16-2)6-7-17-13(10)11;1-2;/h3-7H,1,8,15H2,2H3,(H,16,18);1-2H3;1H4
InChIKeyLLWQSRQGCJBWGV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.23
Rot. Bonds3

About 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane

8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane (PubChem CID 144832127) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane.

Molecular Properties

Compound Name8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane
PubChem CID144832127
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane
SMILESC.C=C(CN)c1cccc2c(C(=O)NC)ccnc12.CC
InChIInChI=1S/C14H15N3O.C2H6.CH4/c1-9(8-15)10-4-3-5-11-12(14(18)16-2)6-7-17-13(10)11;1-2;/h3-7H,1,8,15H2,2H3,(H,16,18);1-2H3;1H4
InChIKeyLLWQSRQGCJBWGV-UHFFFAOYSA-N
XLogP3.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide
CID 12017524
8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid
CID 156697397
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
2-(4-cyanoquinolin-8-yl)prop-2-enyl carbamate
CID 175089778
4-amino-N-(1,10-phenanthrolin-5-yl)butanamide;4-N-(3-aminopropyl)-7-N-methyl-1,10-phenanthroline-4,7-dicarboxamide
CID 162227256
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
6-bromo-8-fluoro-N-methylquinoline-4-carboxamide
CID 164570300
8-[2-[[6-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 130428727
tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate
CID 166932018
methyl 8-ethylquinoline-4-carboxylate
CID 102941710
N-methyl-6-[(2-methyl-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 155200197
methyl 8-(2-methoxyethyl)quinoline-4-carboxylate
CID 102941832

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane?
The IUPAC name of 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane (CID 144832127) is 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane.
What is the SMILES notation for 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane?
The canonical SMILES for 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane is C.C=C(CN)c1cccc2c(C(=O)NC)ccnc12.CC.
What is the InChIKey of 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane?
The InChIKey is LLWQSRQGCJBWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.C2H6.CH4/c1-9(8-15)10-4-3-5-11-12(14(18)16-2)6-7-17-13(10)11;1-2;/h3-7H,1,8,15H2,2H3,(H,16,18);1-2H3;1H4.
What are the key properties of 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane?
8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane has a molecular weight of 287.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminoprop-1-en-2-yl)-N-methylquinoline-4-carboxamide;ethane;methane is sourced from PubChem (CID 144832127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).