N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide

C15H15N5O — CID 170037856

IUPACN-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(Nc2ncc3cccc(C)c3n2)c[nH]1
InChIInChI=1S/C15H15N5O/c1-9-4-3-5-10-7-18-15(20-13(9)10)19-11-6-12(17-8-11)14(21)16-2/h3-8,17H,1-2H3,(H,16,21)(H,18,19,20)
InChIKeyTVSVZOMPZGLMOT-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide

N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide (PubChem CID 170037856) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide
PubChem CID170037856
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(Nc2ncc3cccc(C)c3n2)c[nH]1
InChIInChI=1S/C15H15N5O/c1-9-4-3-5-10-7-18-15(20-13(9)10)19-11-6-12(17-8-11)14(21)16-2/h3-8,17H,1-2H3,(H,16,21)(H,18,19,20)
InChIKeyTVSVZOMPZGLMOT-UHFFFAOYSA-N
XLogP2.37
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-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-[4-[(8-methylquinazolin-2-yl)amino]phenyl]acetamide
CID 59615252
4-[(8-methylquinazolin-2-yl)amino]benzoic acid
CID 150737082
ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate
CID 168990724
N-cyclopropyl-2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazole-4-carboxamide
CID 56961741
N-(3-isocyanophenyl)-8-methylquinazolin-2-amine
CID 59615256
ethyl N-[6-[(8-methylquinazolin-2-yl)amino]-1H-indol-4-yl]carbamate
CID 59615247
4-[2-(3,4-dimethylanilino)-5-methylpyrimidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 91899269
1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine
CID 59615359
2-cyclopropyl-6-N-(8-methylquinazolin-2-yl)-1H-benzimidazole-4,6-diamine
CID 56961805
4-methyl-N-[2-methyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]oxane-4-carboxamide
CID 142717111
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 75034278
4-[5-methyl-2-(3-phenylmethoxyanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
CID 22713596

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide (CID 170037856) is N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide is CNC(=O)c1cc(Nc2ncc3cccc(C)c3n2)c[nH]1.
What is the InChIKey of N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide?
The InChIKey is TVSVZOMPZGLMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9-4-3-5-10-7-18-15(20-13(9)10)19-11-6-12(17-8-11)14(21)16-2/h3-8,17H,1-2H3,(H,16,21)(H,18,19,20).
What are the key properties of N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide?
N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(8-methylquinazolin-2-yl)amino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 170037856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).