N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide

C23H28N4O — CID 46989303

IUPACN,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide
SMILESCCCN(C)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2c(C)c(C)ccc12
InChIInChI=1S/C23H28N4O/c1-7-10-27(6)23(28)19-11-20(17-12-24-22(14(2)3)25-13-17)26-21-16(5)15(4)8-9-18(19)21/h8-9,11-14H,7,10H2,1-6H3
InChIKeyLWXVEYXWCWDFBN-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.91
Rot. Bonds5

About N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide

N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide (PubChem CID 46989303) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound NameN,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide
PubChem CID46989303
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide
SMILESCCCN(C)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2c(C)c(C)ccc12
InChIInChI=1S/C23H28N4O/c1-7-10-27(6)23(28)19-11-20(17-12-24-22(14(2)3)25-13-17)26-21-16(5)15(4)8-9-18(19)21/h8-9,11-14H,7,10H2,1-6H3
InChIKeyLWXVEYXWCWDFBN-UHFFFAOYSA-N
XLogP4.91
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46992353
N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 70747283
N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95047395
N,8-dimethyl-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 95047030
2-(2-aminopyrimidin-5-yl)-7,8-dimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-4-carboxamide
CID 46986988
[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46990469
[2-(4-ethylphenyl)-7,8-dimethylquinolin-4-yl]-morpholin-4-ylmethanone
CID 3490109
[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95047271
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
[7,8-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-5-yl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46992667
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
N-ethyl-N,8-dimethyl-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
CID 31075085

Frequently Asked Questions

What is the IUPAC name of N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide?
The IUPAC name of N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide (CID 46989303) is N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide.
What is the SMILES notation for N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide?
The canonical SMILES for N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide is CCCN(C)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2c(C)c(C)ccc12.
What is the InChIKey of N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide?
The InChIKey is LWXVEYXWCWDFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-7-10-27(6)23(28)19-11-20(17-12-24-22(14(2)3)25-13-17)26-21-16(5)15(4)8-9-18(19)21/h8-9,11-14H,7,10H2,1-6H3.
What are the key properties of N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide?
N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide is sourced from PubChem (CID 46989303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).