6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide

C20H19N3O — CID 2220543

IUPAC6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccccn2)nc2c(C)cc(C)cc12
InChIInChI=1S/C20H19N3O/c1-4-8-22-20(24)16-12-18(17-7-5-6-9-21-17)23-19-14(3)10-13(2)11-15(16)19/h4-7,9-12H,1,8H2,2-3H3,(H,22,24)
InChIKeyOGKGCPMMNQCRAF-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.83
Rot. Bonds4

About 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide

6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2220543) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2220543
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccccn2)nc2c(C)cc(C)cc12
InChIInChI=1S/C20H19N3O/c1-4-8-22-20(24)16-12-18(17-7-5-6-9-21-17)23-19-14(3)10-13(2)11-15(16)19/h4-7,9-12H,1,8H2,2-3H3,(H,22,24)
InChIKeyOGKGCPMMNQCRAF-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819
6,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261395
2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70750036
6,8-dimethyl-N-[4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 177319770
6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 4261333
N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 177319821
(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1257141
6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
CID 177320141
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542
2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide
CID 177319795
2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 134008567

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 2220543) is 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide is C=CCNC(=O)c1cc(-c2ccccn2)nc2c(C)cc(C)cc12.
What is the InChIKey of 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is OGKGCPMMNQCRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-4-8-22-20(24)16-12-18(17-7-5-6-9-21-17)23-19-14(3)10-13(2)11-15(16)19/h4-7,9-12H,1,8H2,2-3H3,(H,22,24).
What are the key properties of 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide?
6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).