(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate

C20H17N3O3 — CID 135734801

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H17N3O3/c24-19(10-9-13-11-21-16-7-3-1-5-14(13)16)26-12-18-22-17-8-4-2-6-15(17)20(25)23-18/h1-8,11,21H,9-10,12H2,(H,22,23,25)
InChIKeyRZYBHZHYQAJTFP-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.08
Rot. Bonds5

About (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate

(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate (PubChem CID 135734801) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
PubChem CID135734801
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H17N3O3/c24-19(10-9-13-11-21-16-7-3-1-5-14(13)16)26-12-18-22-17-8-4-2-6-15(17)20(25)23-18/h1-8,11,21H,9-10,12H2,(H,22,23,25)
InChIKeyRZYBHZHYQAJTFP-UHFFFAOYSA-N
XLogP3.08
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
CID 136903472
ethyl 2-[3-(1H-indol-3-yl)propanoyloxymethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2554630
3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962225
(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 3905355
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(1H-indol-3-yl)butanoate
CID 135739421
(4-oxo-3H-quinazolin-2-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 135815771
1,3-benzothiazol-2-ylmethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135545643
(2-methyl-1,3-thiazol-4-yl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831748
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 8749608
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 31419397
(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 5207428
(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 135734857

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate (CID 135734801) is (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate is O=C(CCc1c[nH]c2ccccc12)OCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate?
The InChIKey is RZYBHZHYQAJTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-19(10-9-13-11-21-16-7-3-1-5-14(13)16)26-12-18-22-17-8-4-2-6-15(17)20(25)23-18/h1-8,11,21H,9-10,12H2,(H,22,23,25).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate?
(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate has a molecular weight of 347.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 135734801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).