(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate

C16H14N2O4 — CID 135815729

IUPAC(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCc1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C16H14N2O4/c1-9-4-3-5-12-14(9)17-13(18-15(12)19)8-22-16(20)11-6-7-21-10(11)2/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyPJLPQVZRXCFIJO-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.49
Rot. Bonds3

About (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate

(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate (PubChem CID 135815729) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate
PubChem CID135815729
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCc1nc2c(C)cccc2c(=O)[nH]1
InChIInChI=1S/C16H14N2O4/c1-9-4-3-5-12-14(9)17-13(18-15(12)19)8-22-16(20)11-6-7-21-10(11)2/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyPJLPQVZRXCFIJO-UHFFFAOYSA-N
XLogP2.49
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691
(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate
CID 135815740
methyl 2-[(2,3-dimethylbenzoyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135549131
8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one
CID 137190173
(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate
CID 135723646
(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 135901469
8-methyl-2-[(2-nitrophenoxy)methyl]-3H-quinazolin-4-one
CID 135823962
methyl 2-[(3-methylfuran-2-carbonyl)oxymethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135687200
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-8-methyl-3H-quinazolin-4-one
CID 136952861
3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid
CID 135966774
2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one
CID 145099400

Frequently Asked Questions

What is the IUPAC name of (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate?
The IUPAC name of (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate (CID 135815729) is (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate.
What is the SMILES notation for (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate?
The canonical SMILES for (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCc1nc2c(C)cccc2c(=O)[nH]1.
What is the InChIKey of (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate?
The InChIKey is PJLPQVZRXCFIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-4-3-5-12-14(9)17-13(18-15(12)19)8-22-16(20)11-6-7-21-10(11)2/h3-7H,8H2,1-2H3,(H,17,18,19).
What are the key properties of (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate?
(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate is sourced from PubChem (CID 135815729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).