2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide

C22H19N5O2 — CID 144501294

IUPAC2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(C)ccc3C(N)=O)c2c1
InChIInChI=1S/C22H19N5O2/c1-13-5-7-16(20(23)28)19(10-13)26-22-17-11-15(29-2)6-8-18(17)25-21(27-22)14-4-3-9-24-12-14/h3-12H,1-2H3,(H2,23,28)(H,25,26,27)
InChIKeyAYHMKTLDAVIPMJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.85
Rot. Bonds5

About 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide

2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide (PubChem CID 144501294) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
PubChem CID144501294
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(C)ccc3C(N)=O)c2c1
InChIInChI=1S/C22H19N5O2/c1-13-5-7-16(20(23)28)19(10-13)26-22-17-11-15(29-2)6-8-18(17)25-21(27-22)14-4-3-9-24-12-14/h3-12H,1-2H3,(H2,23,28)(H,25,26,27)
InChIKeyAYHMKTLDAVIPMJ-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-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
CID 71180912
2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
CID 53303494
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
[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
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409
3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide
CID 71181121
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 144501322

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide?
The IUPAC name of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide (CID 144501294) is 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide.
What is the SMILES notation for 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide?
The canonical SMILES for 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide is COc1ccc2nc(-c3cccnc3)nc(Nc3cc(C)ccc3C(N)=O)c2c1.
What is the InChIKey of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide?
The InChIKey is AYHMKTLDAVIPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-13-5-7-16(20(23)28)19(10-13)26-22-17-11-15(29-2)6-8-18(17)25-21(27-22)14-4-3-9-24-12-14/h3-12H,1-2H3,(H2,23,28)(H,25,26,27).
What are the key properties of 2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide?
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide 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-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide is sourced from PubChem (CID 144501294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).