2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide

C18H22N4O — CID 109262360

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C18H22N4O/c1-3-21(4-2)17(23)15-12-19-18(20-13-15)22-11-7-9-14-8-5-6-10-16(14)22/h5-6,8,10,12-13H,3-4,7,9,11H2,1-2H3
InChIKeyIDBSFMJMEKAJIH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.04
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide (PubChem CID 109262360) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide
PubChem CID109262360
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C18H22N4O/c1-3-21(4-2)17(23)15-12-19-18(20-13-15)22-11-7-9-14-8-5-6-10-16(14)22/h5-6,8,10,12-13H,3-4,7,9,11H2,1-2H3
InChIKeyIDBSFMJMEKAJIH-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265866
2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252753
N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266359
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide
CID 109258326
N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314281
2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251749
3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone
CID 109266231
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109251077
6-(3,4-dihydro-2H-quinolin-1-yl)-N-methylpyridine-3-carboxamide
CID 84570471

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide (CID 109262360) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(N2CCCc3ccccc32)nc1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide?
The InChIKey is IDBSFMJMEKAJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-21(4-2)17(23)15-12-19-18(20-13-15)22-11-7-9-14-8-5-6-10-16(14)22/h5-6,8,10,12-13H,3-4,7,9,11H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 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)-N,N-diethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).