N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide

C19H24N4O — CID 109320696

IUPACN-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C19H24N4O/c1-3-4-11-20-18(24)16-13-14(2)21-19(22-16)23-12-7-9-15-8-5-6-10-17(15)23/h5-6,8,10,13H,3-4,7,9,11-12H2,1-2H3,(H,20,24)
InChIKeyCXSRDXADODICMV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.40
Rot. Bonds5

About N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide

N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109320696) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID109320696
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C19H24N4O/c1-3-4-11-20-18(24)16-13-14(2)21-19(22-16)23-12-7-9-15-8-5-6-10-17(15)23/h5-6,8,10,13H,3-4,7,9,11-12H2,1-2H3,(H,20,24)
InChIKeyCXSRDXADODICMV-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.40
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

2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332521
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
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
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-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109320621
N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109224434

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide (CID 109320696) is N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(C)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is CXSRDXADODICMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-4-11-20-18(24)16-13-14(2)21-19(22-16)23-12-7-9-15-8-5-6-10-17(15)23/h5-6,8,10,13H,3-4,7,9,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide?
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).