6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one

C23H18N2O3 — CID 136608430

IUPAC6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one
SMILESCc1ccc(C(=O)c2cc(OCc3ccccc3)c3nc[nH]c(=O)c3c2)cc1
InChIInChI=1S/C23H18N2O3/c1-15-7-9-17(10-8-15)22(26)18-11-19-21(24-14-25-23(19)27)20(12-18)28-13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,25,27)
InChIKeyMFGKOMBMIKGDOH-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.04
Rot. Bonds5

About 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one

6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one (PubChem CID 136608430) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one
PubChem CID136608430
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one
SMILESCc1ccc(C(=O)c2cc(OCc3ccccc3)c3nc[nH]c(=O)c3c2)cc1
InChIInChI=1S/C23H18N2O3/c1-15-7-9-17(10-8-15)22(26)18-11-19-21(24-14-25-23(19)27)20(12-18)28-13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,25,27)
InChIKeyMFGKOMBMIKGDOH-UHFFFAOYSA-N
XLogP4.04
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-oxo-6-phenylmethoxy-3H-quinazolin-7-yl) acetate
CID 135767194
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
[4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone
CID 135673554
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
methyl 5-iodo-6-methyl-8-phenylmethoxyquinoline-3-carboxylate
CID 59898852
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one?
The IUPAC name of 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one (CID 136608430) is 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one?
The canonical SMILES for 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one is Cc1ccc(C(=O)c2cc(OCc3ccccc3)c3nc[nH]c(=O)c3c2)cc1.
What is the InChIKey of 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one?
The InChIKey is MFGKOMBMIKGDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-15-7-9-17(10-8-15)22(26)18-11-19-21(24-14-25-23(19)27)20(12-18)28-13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,25,27).
What are the key properties of 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one?
6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one has a molecular weight of 370.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylbenzoyl)-8-phenylmethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136608430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).