2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

C22H19N5O2 — CID 144501322

IUPAC2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESCOc1cc(C)cc2c(Nc3ccccc3C(N)=O)nc(-c3cccnc3)nc12
InChIInChI=1S/C22H19N5O2/c1-13-10-16-19(18(11-13)29-2)26-21(14-6-5-9-24-12-14)27-22(16)25-17-8-4-3-7-15(17)20(23)28/h3-12H,1-2H3,(H2,23,28)(H,25,26,27)
InChIKeyOWYPDNAVRKDZBM-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.85
Rot. Bonds5

About 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (PubChem CID 144501322) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
PubChem CID144501322
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESCOc1cc(C)cc2c(Nc3ccccc3C(N)=O)nc(-c3cccnc3)nc12
InChIInChI=1S/C22H19N5O2/c1-13-10-16-19(18(11-13)29-2)26-21(14-6-5-9-24-12-14)27-22(16)25-17-8-4-3-7-15(17)20(23)28/h3-12H,1-2H3,(H2,23,28)(H,25,26,27)
InChIKeyOWYPDNAVRKDZBM-UHFFFAOYSA-N
XLogP3.85
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71273500
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
CID 53303494
2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71181221
2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180374
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 110431153
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
CID 71180912
2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71181238

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (CID 144501322) is 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is COc1cc(C)cc2c(Nc3ccccc3C(N)=O)nc(-c3cccnc3)nc12.
What is the InChIKey of 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is OWYPDNAVRKDZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-13-10-16-19(18(11-13)29-2)26-21(14-6-5-9-24-12-14)27-22(16)25-17-8-4-3-7-15(17)20(23)28/h3-12H,1-2H3,(H2,23,28)(H,25,26,27).
What are the key properties of 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 385.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 144501322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).