1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate

C15H14N2O5 — CID 135697628

IUPAC1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC(OC(=O)C1=COCCO1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H14N2O5/c1-9(22-15(19)12-8-20-6-7-21-12)13-16-11-5-3-2-4-10(11)14(18)17-13/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeySRAXMKHPHBAROR-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.42
Rot. Bonds3

About 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate

1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 135697628) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID135697628
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC(OC(=O)C1=COCCO1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H14N2O5/c1-9(22-15(19)12-8-20-6-7-21-12)13-16-11-5-3-2-4-10(11)14(18)17-13/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeySRAXMKHPHBAROR-UHFFFAOYSA-N
XLogP1.42
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylate
CID 135437466
Chrysogine
CID 135542475
1-((3-(Trifluoromethyl)phenyl)carbamoyl)ethyl 3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoate
CID 135515801
2-(1-Hydroxyethyl)-4(3H)-quinazolinone
CID 135505243
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135500583
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135498677
(2-anilino-2-oxoethyl) 3-(4-oxo-1H-quinazolin-2-yl)propanoate
CID 135811370
2-[(1R)-1-hydroxyethyl]-3,4-dihydroquinazolin-4-one
CID 135564935
2-((4-Oxo-3,4-dihydroquinazolin-2-yl)methoxy)acetic acid
CID 135885364
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135510173
[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135399995
methyl 1-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
CID 135473637

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 135697628) is 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate is CC(OC(=O)C1=COCCO1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is SRAXMKHPHBAROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-9(22-15(19)12-8-20-6-7-21-12)13-16-11-5-3-2-4-10(11)14(18)17-13/h2-5,8-9H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate?
1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 302.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 135697628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).