6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione

C17H22N2O5 — CID 4298608

IUPAC6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione
SMILESCCOc1cc2[nH]c(=O)n(CC3CCCO3)c(=O)c2cc1OCC
InChIInChI=1S/C17H22N2O5/c1-3-22-14-8-12-13(9-15(14)23-4-2)18-17(21)19(16(12)20)10-11-6-5-7-24-11/h8-9,11H,3-7,10H2,1-2H3,(H,18,21)
InChIKeyRVSHLJTXHCQIBP-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.67
Rot. Bonds6

About 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione

6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione (PubChem CID 4298608) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione
PubChem CID4298608
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione
SMILESCCOc1cc2[nH]c(=O)n(CC3CCCO3)c(=O)c2cc1OCC
InChIInChI=1S/C17H22N2O5/c1-3-22-14-8-12-13(9-15(14)23-4-2)18-17(21)19(16(12)20)10-11-6-5-7-24-11/h8-9,11H,3-7,10H2,1-2H3,(H,18,21)
InChIKeyRVSHLJTXHCQIBP-UHFFFAOYSA-N
XLogP1.67
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-diethoxy-3-(3-morpholin-4-ium-4-ylpropyl)-1H-quinazoline-2,4-dione
CID 3427004
N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 4103926
N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22588192
7,8-dimethoxy-3-[[(2S)-oxolan-2-yl]methyl]-5H-pyrimido[5,4-b]indol-4-one
CID 906916
3-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide
CID 4109607
7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione
CID 167818036
N-(2,3-dimethylcyclohexyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide
CID 3236914
6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 110491161
2-[(2-ethoxyphenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7869185
6,7-diethoxy-3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
CID 22588222
5-methoxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117208086
1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]-6,7-dimethoxy-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione
CID 92656090

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione (CID 4298608) is 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione is CCOc1cc2[nH]c(=O)n(CC3CCCO3)c(=O)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione?
The InChIKey is RVSHLJTXHCQIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-3-22-14-8-12-13(9-15(14)23-4-2)18-17(21)19(16(12)20)10-11-6-5-7-24-11/h8-9,11H,3-7,10H2,1-2H3,(H,18,21).
What are the key properties of 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione?
6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione has a molecular weight of 334.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4298608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).