2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one

C18H15N3O — CID 136903472

IUPAC2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCc2c[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C18H15N3O/c22-18-14-6-2-4-8-16(14)20-17(21-18)10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,19H,9-10H2,(H,20,21,22)
InChIKeySEWMKXJYRAIOIB-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.19
Rot. Bonds3

About 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one

2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one (PubChem CID 136903472) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
PubChem CID136903472
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCc2c[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C18H15N3O/c22-18-14-6-2-4-8-16(14)20-17(21-18)10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,19H,9-10H2,(H,20,21,22)
InChIKeySEWMKXJYRAIOIB-UHFFFAOYSA-N
XLogP3.19
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 135734801
3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962225
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(1H-indol-3-yl)butanoate
CID 135739421
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
CID 3352170
2-(3,3-dimethyl-2-oxobutyl)-3H-quinazolin-4-one
CID 139894083
2-(3,3,3-trifluoro-2-oxopropyl)-3H-quinazolin-4-one
CID 135509807
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513
2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one
CID 147235062
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one (CID 136903472) is 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one is O=c1[nH]c(CCc2c[nH]c3ccccc23)nc2ccccc12.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one?
The InChIKey is SEWMKXJYRAIOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18-14-6-2-4-8-16(14)20-17(21-18)10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,19H,9-10H2,(H,20,21,22).
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one?
2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one has a molecular weight of 289.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136903472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).