6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione

C24H26N2O7 — CID 22429920

IUPAC6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione
SMILESCOc1cccc(C(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C24H26N2O7/c1-30-16-7-4-6-15(10-16)20(27)14-25-19-12-22(32-3)21(31-2)11-18(19)23(28)26(24(25)29)13-17-8-5-9-33-17/h4,6-7,10-12,17H,5,8-9,13-14H2,1-3H3
InChIKeyMFVMFSIWJXCDNG-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.25
Rot. Bonds8

About 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione

6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione (PubChem CID 22429920) has the molecular formula C24H26N2O7 and a molecular weight of 454.48 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione
PubChem CID22429920
Molecular FormulaC24H26N2O7
Molecular Weight454.48 g/mol
Exact Mass454.17
IUPAC Name6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione
SMILESCOc1cccc(C(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C24H26N2O7/c1-30-16-7-4-6-15(10-16)20(27)14-25-19-12-22(32-3)21(31-2)11-18(19)23(28)26(24(25)29)13-17-8-5-9-33-17/h4,6-7,10-12,17H,5,8-9,13-14H2,1-3H3
InChIKeyMFVMFSIWJXCDNG-UHFFFAOYSA-N
XLogP2.25
TPSA97.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]-6,7-dimethoxy-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione
CID 92656090
2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 15989579
3-(4-fluorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione
CID 46061463
3-(2-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-[[(2R)-oxolan-2-yl]methyl]purine-2,6-dione
CID 92990503
1-[2-(3-bromophenyl)-2-oxoethyl]-3-cyclopentyl-6,7-dimethoxyquinazoline-2,4-dione
CID 15999351
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 41290913
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 3552252
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione
CID 30850020
2-[4,6-dioxo-5-[[(2S)-oxolan-2-yl]methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-yl]-N-(3-methoxyphenyl)acetamide
CID 95071726

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione?
The IUPAC name of 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione (CID 22429920) is 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione?
The canonical SMILES for 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione is COc1cccc(C(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3cc(OC)c(OC)cc32)c1.
What is the InChIKey of 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione?
The InChIKey is MFVMFSIWJXCDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7/c1-30-16-7-4-6-15(10-16)20(27)14-25-19-12-22(32-3)21(31-2)11-18(19)23(28)26(24(25)29)13-17-8-5-9-33-17/h4,6-7,10-12,17H,5,8-9,13-14H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione?
6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione has a molecular weight of 454.48 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione is sourced from PubChem (CID 22429920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).