6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one

C25H24N2O5 — CID 118722446

IUPAC6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1cc2ncn(Cc3ccc(OCc4ccccc4)c(OC)c3)c(=O)c2cc1OC
InChIInChI=1S/C25H24N2O5/c1-29-22-11-18(9-10-21(22)32-15-17-7-5-4-6-8-17)14-27-16-26-20-13-24(31-3)23(30-2)12-19(20)25(27)28/h4-13,16H,14-15H2,1-3H3
InChIKeyCDFXPYPZUVDBEF-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.05
Rot. Bonds8

About 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one

6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one (PubChem CID 118722446) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one
PubChem CID118722446
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1cc2ncn(Cc3ccc(OCc4ccccc4)c(OC)c3)c(=O)c2cc1OC
InChIInChI=1S/C25H24N2O5/c1-29-22-11-18(9-10-21(22)32-15-17-7-5-4-6-8-17)14-27-16-26-20-13-24(31-3)23(30-2)12-19(20)25(27)28/h4-13,16H,14-15H2,1-3H3
InChIKeyCDFXPYPZUVDBEF-UHFFFAOYSA-N
XLogP4.05
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Sjg 136
CID 393111
6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one
CID 135409305
Dsb-120
CID 9849976
D-709119
CID 9863862
Unii-V23HY4W8OB
CID 9938287
(6aS)-2,3-dimethoxy-8-(4-methylphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 10882588
(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-(4-methoxyphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 11366168
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-methoxy-3-methylquinazolin-4(3H)-one
CID 11502638
7-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151248
(6aS)-8-(4-ethylphenyl)-2,3-dimethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46907558
(12S,39S)-14-(4-aminophenyl)-37-methyl-2,6,21,30-tetraoxa-10,16,35,41-tetrazaheptacyclo[29.12.0.07,20.09,18.012,16.033,42.035,39]tritetraconta-1(31),7(20),8,10,14,18,32,36,40,42-decaene-17,34-dione
CID 124162125
(6aS)-3-[3-[[(6aS)-2-methoxy-11-oxo-8-phenyl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-phenyl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 132022656

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one (CID 118722446) is 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one is COc1cc2ncn(Cc3ccc(OCc4ccccc4)c(OC)c3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one?
The InChIKey is CDFXPYPZUVDBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-29-22-11-18(9-10-21(22)32-15-17-7-5-4-6-8-17)14-27-16-26-20-13-24(31-3)23(30-2)12-19(20)25(27)28/h4-13,16H,14-15H2,1-3H3.
What are the key properties of 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one?
6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one has a molecular weight of 432.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 118722446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).