N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide

C25H21N5O — CID 58829057

IUPACN-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3n2C)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C25H21N5O/c1-15-7-9-19(28-24(31)23-12-17-5-3-4-6-22(17)30(23)2)13-20(15)16-8-10-21-18(11-16)14-27-25(26)29-21/h3-14H,1-2H3,(H,28,31)(H2,26,27,29)
InChIKeyNRDBXJYCMFYHLP-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.93
Rot. Bonds3

About N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide

N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide (PubChem CID 58829057) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide
PubChem CID58829057
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3n2C)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C25H21N5O/c1-15-7-9-19(28-24(31)23-12-17-5-3-4-6-22(17)30(23)2)13-20(15)16-8-10-21-18(11-16)14-27-25(26)29-21/h3-14H,1-2H3,(H,28,31)(H2,26,27,29)
InChIKeyNRDBXJYCMFYHLP-UHFFFAOYSA-N
XLogP4.93
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-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

3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea
CID 58829478
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(4-methylpiperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]benzamide
CID 176903594
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11606245
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 58829523
N-(6-methoxy-3-pyridinyl)-1-methylindole-2-carboxamide
CID 56763350
3-(2-aminoquinazolin-6-yl)-N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-4-methylbenzamide
CID 58829593
1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
CID 166206735
5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 47072560
3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 58829952
3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 58829783
3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide
CID 58829165

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide (CID 58829057) is N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3n2C)cc1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide?
The InChIKey is NRDBXJYCMFYHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-15-7-9-19(28-24(31)23-12-17-5-3-4-6-22(17)30(23)2)13-20(15)16-8-10-21-18(11-16)14-27-25(26)29-21/h3-14H,1-2H3,(H,28,31)(H2,26,27,29).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide?
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 58829057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).