2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

C24H26N4O — CID 109332521

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C24H26N4O/c1-18-17-21(23(29)25-15-7-11-19-9-3-2-4-10-19)27-24(26-18)28-16-8-13-20-12-5-6-14-22(20)28/h2-6,9-10,12,14,17H,7-8,11,13,15-16H2,1H3,(H,25,29)
InChIKeyNTOMIUDCXMIZHF-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.23
Rot. Bonds6

About 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide

2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109332521) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109332521
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C24H26N4O/c1-18-17-21(23(29)25-15-7-11-19-9-3-2-4-10-19)27-24(26-18)28-16-8-13-20-12-5-6-14-22(20)28/h2-6,9-10,12,14,17H,7-8,11,13,15-16H2,1H3,(H,25,29)
InChIKeyNTOMIUDCXMIZHF-UHFFFAOYSA-N
XLogP4.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109323431
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329190
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347
2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331252
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213564
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335446

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109332521) is 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCCc2ccccc2)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is NTOMIUDCXMIZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-17-21(23(29)25-15-7-11-19-9-3-2-4-10-19)27-24(26-18)28-16-8-13-20-12-5-6-14-22(20)28/h2-6,9-10,12,14,17H,7-8,11,13,15-16H2,1H3,(H,25,29).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109332521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).