3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione

C26H30N2O7 — CID 17172468

IUPAC3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C26H30N2O7/c1-32-21-11-10-16(12-22(21)33-2)20(29)15-27-19-14-24(35-4)23(34-3)13-18(19)25(30)28(26(27)31)17-8-6-5-7-9-17/h10-14,17H,5-9,15H2,1-4H3
InChIKeyVOOUTSAAVMBHNU-UHFFFAOYSA-N
MW482.53 g/mol
LogP3.59
Rot. Bonds8

About 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione

3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione (PubChem CID 17172468) has the molecular formula C26H30N2O7 and a molecular weight of 482.53 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione
PubChem CID17172468
Molecular FormulaC26H30N2O7
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione
SMILESCOc1ccc(C(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C26H30N2O7/c1-32-21-11-10-16(12-22(21)33-2)20(29)15-27-19-14-24(35-4)23(34-3)13-18(19)25(30)28(26(27)31)17-8-6-5-7-9-17/h10-14,17H,5-9,15H2,1-4H3
InChIKeyVOOUTSAAVMBHNU-UHFFFAOYSA-N
XLogP3.59
TPSA97.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione?
The IUPAC name of 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione (CID 17172468) is 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione is COc1ccc(C(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3cc(OC)c(OC)cc32)cc1OC.
What is the InChIKey of 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione?
The InChIKey is VOOUTSAAVMBHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O7/c1-32-21-11-10-16(12-22(21)33-2)20(29)15-27-19-14-24(35-4)23(34-3)13-18(19)25(30)28(26(27)31)17-8-6-5-7-9-17/h10-14,17H,5-9,15H2,1-4H3.
What are the key properties of 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione?
3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione has a molecular weight of 482.53 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6,7-dimethoxyquinazoline-2,4-dione is sourced from PubChem (CID 17172468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).