3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide

C23H33N3O5 — CID 4109607

IUPAC3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCCOc1cc2[nH]c(=O)n(CCC(=O)NC3CCCC(C)C3C)c(=O)c2cc1OCC
InChIInChI=1S/C23H33N3O5/c1-5-30-19-12-16-18(13-20(19)31-6-2)25-23(29)26(22(16)28)11-10-21(27)24-17-9-7-8-14(3)15(17)4/h12-15,17H,5-11H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyGZSOLRYZYCKZRE-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.82
Rot. Bonds8

About 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide

3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide (PubChem CID 4109607) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide
PubChem CID4109607
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCCOc1cc2[nH]c(=O)n(CCC(=O)NC3CCCC(C)C3C)c(=O)c2cc1OCC
InChIInChI=1S/C23H33N3O5/c1-5-30-19-12-16-18(13-20(19)31-6-2)25-23(29)26(22(16)28)11-10-21(27)24-17-9-7-8-14(3)15(17)4/h12-15,17H,5-11H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyGZSOLRYZYCKZRE-UHFFFAOYSA-N
XLogP2.82
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide with MolForge

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Related Compounds

N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22588192
N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
CID 4583346
ethyl 4-[5-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)pentanoyl]piperazine-1-carboxylate
CID 46369048
N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 4103926
6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione
CID 4298608
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-diethoxy-1H-quinazoline-2,4-dione
CID 46369052
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6,7-diethoxy-1H-quinazoline-2,4-dione
CID 46369041
N-(2,3-dimethylcyclohexyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide
CID 3236914
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 42915427
3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 3496295
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-(2,3-dimethylcyclohexyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 126478593

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide?
The IUPAC name of 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide (CID 4109607) is 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide?
The canonical SMILES for 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide is CCOc1cc2[nH]c(=O)n(CCC(=O)NC3CCCC(C)C3C)c(=O)c2cc1OCC.
What is the InChIKey of 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide?
The InChIKey is GZSOLRYZYCKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-5-30-19-12-16-18(13-20(19)31-6-2)25-23(29)26(22(16)28)11-10-21(27)24-17-9-7-8-14(3)15(17)4/h12-15,17H,5-11H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide?
3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide has a molecular weight of 431.53 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 4109607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).