4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide

C27H21N5O3 — CID 60589902

IUPAC4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H21N5O3/c1-17-16-21(35-27-28-14-5-15-29-27)12-13-23(17)31-25(33)19-8-10-20(11-9-19)32-18(2)30-24-7-4-3-6-22(24)26(32)34/h3-16H,1-2H3,(H,31,33)
InChIKeyOSZTVYLTJCPHIV-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.84
Rot. Bonds5

About 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide

4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide (PubChem CID 60589902) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
PubChem CID60589902
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Name4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H21N5O3/c1-17-16-21(35-27-28-14-5-15-29-27)12-13-23(17)31-25(33)19-8-10-20(11-9-19)32-18(2)30-24-7-4-3-6-22(24)26(32)34/h3-16H,1-2H3,(H,31,33)
InChIKeyOSZTVYLTJCPHIV-UHFFFAOYSA-N
XLogP4.84
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55661317
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988524
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide
CID 50834726
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077206
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988488
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
2-(4-methoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)quinoline-4-carboxamide
CID 52765868

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
The IUPAC name of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide (CID 60589902) is 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
The InChIKey is OSZTVYLTJCPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c1-17-16-21(35-27-28-14-5-15-29-27)12-13-23(17)31-25(33)19-8-10-20(11-9-19)32-18(2)30-24-7-4-3-6-22(24)26(32)34/h3-16H,1-2H3,(H,31,33).
What are the key properties of 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide?
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide has a molecular weight of 463.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 60589902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).