6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one

C23H21N3O2 — CID 176910383

IUPAC6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
SMILESO=c1c2cc(C3=CCOCC3)ccc2ncn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H21N3O2/c27-23-20-13-17(16-8-11-28-12-9-16)5-6-22(20)25-15-26(23)10-7-18-14-24-21-4-2-1-3-19(18)21/h1-6,8,13-15,24H,7,9-12H2
InChIKeySTTQHYMXHPWHSV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.92
Rot. Bonds4

About 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one

6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one (PubChem CID 176910383) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
PubChem CID176910383
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
SMILESO=c1c2cc(C3=CCOCC3)ccc2ncn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H21N3O2/c27-23-20-13-17(16-8-11-28-12-9-16)5-6-22(20)25-15-26(23)10-7-18-14-24-21-4-2-1-3-19(18)21/h1-6,8,13-15,24H,7,9-12H2
InChIKeySTTQHYMXHPWHSV-UHFFFAOYSA-N
XLogP3.92
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one with MolForge

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Related Compounds

3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one
CID 176910366
3-[2-(1H-indol-3-yl)ethyl]-6-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
CID 176910401
methyl 4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]benzoate
CID 176910375
methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate
CID 176910363
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide
CID 176910364
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 176910347
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-2-nitrobenzenesulfonamide
CID 176910377
3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one
CID 166465371
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]thiourea
CID 176910405
3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126898563
5-(4-chlorophenyl)-11-[2-(1H-indol-3-yl)ethyl]-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496849
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
The IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one (CID 176910383) is 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one is O=c1c2cc(C3=CCOCC3)ccc2ncn1CCc1c[nH]c2ccccc12.
What is the InChIKey of 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
The InChIKey is STTQHYMXHPWHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23-20-13-17(16-8-11-28-12-9-16)5-6-22(20)25-15-26(23)10-7-18-14-24-21-4-2-1-3-19(18)21/h1-6,8,13-15,24H,7,9-12H2.
What are the key properties of 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one has a molecular weight of 371.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 176910383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).