2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one

C18H17N3O — CID 135612968

IUPAC2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCc2ccccc21
InChIInChI=1S/C18H17N3O/c1-12(21-11-10-13-6-2-5-9-16(13)21)17-19-15-8-4-3-7-14(15)18(22)20-17/h2-9,12H,10-11H2,1H3,(H,19,20,22)/t12-/m1/s1
InChIKeyMMIJTMYNDCPHAV-GFCCVEGCSA-N
MW291.35 g/mol
LogP3.05
Rot. Bonds2

About 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one

2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one (PubChem CID 135612968) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one
PubChem CID135612968
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCc2ccccc21
InChIInChI=1S/C18H17N3O/c1-12(21-11-10-13-6-2-5-9-16(13)21)17-19-15-8-4-3-7-14(15)18(22)20-17/h2-9,12H,10-11H2,1H3,(H,19,20,22)/t12-/m1/s1
InChIKeyMMIJTMYNDCPHAV-GFCCVEGCSA-N
XLogP3.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135620653
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[(1R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3H-quinazolin-4-one
CID 136733854
2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135997912
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 135612866
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
CID 135751825

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one (CID 135612968) is 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one is C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCc2ccccc21.
What is the InChIKey of 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one?
The InChIKey is MMIJTMYNDCPHAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12(21-11-10-13-6-2-5-9-16(13)21)17-19-15-8-4-3-7-14(15)18(22)20-17/h2-9,12H,10-11H2,1H3,(H,19,20,22)/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one?
2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one has a molecular weight of 291.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135612968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).