N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C28H22N4O4 — CID 55661317

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C28H22N4O4/c1-18-30-24-7-4-3-6-23(24)28(34)32(18)20-11-9-19(10-12-20)26(33)31-25-8-5-17-29-27(25)36-22-15-13-21(35-2)14-16-22/h3-17H,1-2H3,(H,31,33)
InChIKeyRQAJVOBWDCNWJZ-UHFFFAOYSA-N
MW478.51 g/mol
LogP5.14
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 55661317) has the molecular formula C28H22N4O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID55661317
Molecular FormulaC28H22N4O4
Molecular Weight478.51 g/mol
Exact Mass478.16
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C28H22N4O4/c1-18-30-24-7-4-3-6-23(24)28(34)32(18)20-11-9-19(10-12-20)26(33)31-25-8-5-17-29-27(25)36-22-15-13-21(35-2)14-16-22/h3-17H,1-2H3,(H,31,33)
InChIKeyRQAJVOBWDCNWJZ-UHFFFAOYSA-N
XLogP5.14
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988524
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
N-(5-cyano-2-methoxyphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 49182677
3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988488
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 43027483
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077206

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 55661317) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is COc1ccc(Oc2ncccc2NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is RQAJVOBWDCNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O4/c1-18-30-24-7-4-3-6-23(24)28(34)32(18)20-11-9-19(10-12-20)26(33)31-25-8-5-17-29-27(25)36-22-15-13-21(35-2)14-16-22/h3-17H,1-2H3,(H,31,33).
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 478.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 55661317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).