8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one

C21H24N2O4 — CID 141177874

IUPAC8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one
SMILESCOCc1c(OCc2ccc(OC)cc2)ccc2c(=O)[nH]c(C(C)C)nc12
InChIInChI=1S/C21H24N2O4/c1-13(2)20-22-19-16(21(24)23-20)9-10-18(17(19)12-25-3)27-11-14-5-7-15(26-4)8-6-14/h5-10,13H,11-12H2,1-4H3,(H,22,23,24)
InChIKeyOOGDNPYCKZGPQP-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.78
Rot. Bonds7

About 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one

8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one (PubChem CID 141177874) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one
PubChem CID141177874
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one
SMILESCOCc1c(OCc2ccc(OC)cc2)ccc2c(=O)[nH]c(C(C)C)nc12
InChIInChI=1S/C21H24N2O4/c1-13(2)20-22-19-16(21(24)23-20)9-10-18(17(19)12-25-3)27-11-14-5-7-15(26-4)8-6-14/h5-10,13H,11-12H2,1-4H3,(H,22,23,24)
InChIKeyOOGDNPYCKZGPQP-UHFFFAOYSA-N
XLogP3.78
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one?
The IUPAC name of 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one (CID 141177874) is 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one is COCc1c(OCc2ccc(OC)cc2)ccc2c(=O)[nH]c(C(C)C)nc12.
What is the InChIKey of 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one?
The InChIKey is OOGDNPYCKZGPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13(2)20-22-19-16(21(24)23-20)9-10-18(17(19)12-25-3)27-11-14-5-7-15(26-4)8-6-14/h5-10,13H,11-12H2,1-4H3,(H,22,23,24).
What are the key properties of 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one?
8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one has a molecular weight of 368.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-7-[(4-methoxyphenyl)methoxy]-2-propan-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 141177874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).