[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate

C24H19N3O4 — CID 41427750

IUPAC[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C24H19N3O4/c28-23(12-16-13-25-20-9-3-1-7-18(16)20)31-15-22-26-21-10-4-2-8-19(21)24(29)27(22)14-17-6-5-11-30-17/h1-11,13,25H,12,14-15H2
InChIKeyOTZGYYLMRZVOLI-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.81
Rot. Bonds6

About [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate

[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate (PubChem CID 41427750) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate
PubChem CID41427750
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C24H19N3O4/c28-23(12-16-13-25-20-9-3-1-7-18(16)20)31-15-22-26-21-10-4-2-8-19(21)24(29)27(22)14-17-6-5-11-30-17/h1-11,13,25H,12,14-15H2
InChIKeyOTZGYYLMRZVOLI-UHFFFAOYSA-N
XLogP3.81
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate
CID 24662031
[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate
CID 26061661
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 3332687
1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
CID 40735475
3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile
CID 86081653
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
4-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26962068
1-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 25499747
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 2669103
(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 135734801
3-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one
CID 17392836

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate (CID 41427750) is [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCc1nc2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate?
The InChIKey is OTZGYYLMRZVOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-23(12-16-13-25-20-9-3-1-7-18(16)20)31-15-22-26-21-10-4-2-8-19(21)24(29)27(22)14-17-6-5-11-30-17/h1-11,13,25H,12,14-15H2.
What are the key properties of [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate?
[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate has a molecular weight of 413.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 41427750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).