N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C22H19N5O — CID 109315906

IUPACN-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2cccc3cccnc23)n1)c1ccccc1
InChIInChI=1S/C22H19N5O/c1-2-27(17-10-4-3-5-11-17)21(28)19-13-15-24-22(26-19)25-18-12-6-8-16-9-7-14-23-20(16)18/h3-15H,2H2,1H3,(H,24,25,26)
InChIKeyHZVFGOONYMYURR-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.44
Rot. Bonds5

About N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109315906) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109315906
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2cccc3cccnc23)n1)c1ccccc1
InChIInChI=1S/C22H19N5O/c1-2-27(17-10-4-3-5-11-17)21(28)19-13-15-24-22(26-19)25-18-12-6-8-16-9-7-14-23-20(16)18/h3-15H,2H2,1H3,(H,24,25,26)
InChIKeyHZVFGOONYMYURR-UHFFFAOYSA-N
XLogP4.44
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-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

N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109336437
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109315894
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)acetamide
CID 109007764
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
ethyl 4-[[4-[ethyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315907
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109301765
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109315906) is N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(Nc2cccc3cccnc23)n1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is HZVFGOONYMYURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-2-27(17-10-4-3-5-11-17)21(28)19-13-15-24-22(26-19)25-18-12-6-8-16-9-7-14-23-20(16)18/h3-15H,2H2,1H3,(H,24,25,26).
What are the key properties of N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).