3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C25H24N6O2 — CID 58829523

IUPAC3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C25H24N6O2/c1-16-2-3-18(13-21(16)17-4-6-22-19(12-17)14-28-25(26)30-22)24(32)29-20-5-7-23(27-15-20)31-8-10-33-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,29,32)(H2,26,28,30)
InChIKeyNRBPEBMSTDXDJB-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.67
Rot. Bonds4

About 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 58829523) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
PubChem CID58829523
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C25H24N6O2/c1-16-2-3-18(13-21(16)17-4-6-22-19(12-17)14-28-25(26)30-22)24(32)29-20-5-7-23(27-15-20)31-8-10-33-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,29,32)(H2,26,28,30)
InChIKeyNRBPEBMSTDXDJB-UHFFFAOYSA-N
XLogP3.67
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide with MolForge

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Related Compounds

3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 58829111
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707
3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 58829783
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(4-methylpiperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]benzamide
CID 176903594
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methyl-3-(4-methylsulfanylphenyl)benzamide
CID 24775272
3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methylbenzamide
CID 58829376
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11606245
3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 58829952
3-(2-aminoquinazolin-6-yl)-N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-4-methylbenzamide
CID 58829593

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 58829523) is 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is NRBPEBMSTDXDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-2-3-18(13-21(16)17-4-6-22-19(12-17)14-28-25(26)30-22)24(32)29-20-5-7-23(27-15-20)31-8-10-33-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,29,32)(H2,26,28,30).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 440.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 58829523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).