2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one

C18H15N3O — CID 147235062

IUPAC2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCC2=Nc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C18H15N3O/c22-18-14-6-2-4-8-16(14)20-17(21-18)10-9-13-11-12-5-1-3-7-15(12)19-13/h1-8H,9-11H2,(H,20,21,22)
InChIKeyCJQOAFSPKSRAEB-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.18
Rot. Bonds3

About 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one

2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one (PubChem CID 147235062) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one
PubChem CID147235062
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCC2=Nc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C18H15N3O/c22-18-14-6-2-4-8-16(14)20-17(21-18)10-9-13-11-12-5-1-3-7-15(12)19-13/h1-8H,9-11H2,(H,20,21,22)
InChIKeyCJQOAFSPKSRAEB-UHFFFAOYSA-N
XLogP3.18
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 135659956
2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
CID 136903472
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513
2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one
CID 137011728
N-(2,3-dihydro-1H-inden-1-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135886882
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
CID 137011715
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
2-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-3H-quinazolin-4-one
CID 136921650
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one (CID 147235062) is 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one is O=c1[nH]c(CCC2=Nc3ccccc3C2)nc2ccccc12.
What is the InChIKey of 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one?
The InChIKey is CJQOAFSPKSRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18-14-6-2-4-8-16(14)20-17(21-18)10-9-13-11-12-5-1-3-7-15(12)19-13/h1-8H,9-11H2,(H,20,21,22).
What are the key properties of 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one?
2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one has a molecular weight of 289.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 147235062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).