3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one

C27H20N4O — CID 176910366

IUPAC3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one
SMILESO=c1c2cc(-c3ccc4cccnc4c3)ccc2ncn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C27H20N4O/c32-27-23-14-19(20-8-7-18-4-3-12-28-26(18)15-20)9-10-25(23)30-17-31(27)13-11-21-16-29-24-6-2-1-5-22(21)24/h1-10,12,14-17,29H,11,13H2
InChIKeyFLPSAEUWWVJUSO-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.34
Rot. Bonds4

About 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one

3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one (PubChem CID 176910366) has the molecular formula C27H20N4O and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one
PubChem CID176910366
Molecular FormulaC27H20N4O
Molecular Weight416.48 g/mol
Exact Mass416.16
IUPAC Name3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one
SMILESO=c1c2cc(-c3ccc4cccnc4c3)ccc2ncn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C27H20N4O/c32-27-23-14-19(20-8-7-18-4-3-12-28-26(18)15-20)9-10-25(23)30-17-31(27)13-11-21-16-29-24-6-2-1-5-22(21)24/h1-10,12,14-17,29H,11,13H2
InChIKeyFLPSAEUWWVJUSO-UHFFFAOYSA-N
XLogP5.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
CID 176910383
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]oxane-4-carboxamide
CID 176910364
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-2-nitrobenzenesulfonamide
CID 176910377
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-(1H-indol-3-yl)ethyl]-1-[(3-nitrophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 46260230
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
N-(1H-indol-3-ylmethyl)quinolin-6-amine
CID 62635279
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619624

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one (CID 176910366) is 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one is O=c1c2cc(-c3ccc4cccnc4c3)ccc2ncn1CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one?
The InChIKey is FLPSAEUWWVJUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O/c32-27-23-14-19(20-8-7-18-4-3-12-28-26(18)15-20)9-10-25(23)30-17-31(27)13-11-21-16-29-24-6-2-1-5-22(21)24/h1-10,12,14-17,29H,11,13H2.
What are the key properties of 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one?
3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one has a molecular weight of 416.48 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one is sourced from PubChem (CID 176910366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).