2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide

C22H19N5O2 — CID 53303494

IUPAC2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
SMILESCOc1ccc2nc(-c3ccc(C)nc3)nc(Nc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C22H19N5O2/c1-13-7-8-14(12-24-13)21-25-19-10-9-15(29-2)11-17(19)22(27-21)26-18-6-4-3-5-16(18)20(23)28/h3-12H,1-2H3,(H2,23,28)(H,25,26,27)
InChIKeyWDXLBDQGCMHBJQ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.85
Rot. Bonds5

About 2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide

2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide (PubChem CID 53303494) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
PubChem CID53303494
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
SMILESCOc1ccc2nc(-c3ccc(C)nc3)nc(Nc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C22H19N5O2/c1-13-7-8-14(12-24-13)21-25-19-10-9-15(29-2)11-17(19)22(27-21)26-18-6-4-3-5-16(18)20(23)28/h3-12H,1-2H3,(H2,23,28)(H,25,26,27)
InChIKeyWDXLBDQGCMHBJQ-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-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide
CID 71180705
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
CID 71180912
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
CID 89347943
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180546
2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71181238
2-chloro-N-methylacetamide;2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 159635907
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide?
The IUPAC name of 2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide (CID 53303494) is 2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide is COc1ccc2nc(-c3ccc(C)nc3)nc(Nc3ccccc3C(N)=O)c2c1.
What is the InChIKey of 2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide?
The InChIKey is WDXLBDQGCMHBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-13-7-8-14(12-24-13)21-25-19-10-9-15(29-2)11-17(19)22(27-21)26-18-6-4-3-5-16(18)20(23)28/h3-12H,1-2H3,(H2,23,28)(H,25,26,27).
What are the key properties of 2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide?
2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-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-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 53303494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).