methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate

C27H23N3O3 — CID 176910363

IUPACmethyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc3ncn(CCc4c[nH]c5ccccc45)c(=O)c3c2)cc1
InChIInChI=1S/C27H23N3O3/c1-33-26(31)14-18-6-8-19(9-7-18)20-10-11-25-23(15-20)27(32)30(17-29-25)13-12-21-16-28-24-5-3-2-4-22(21)24/h2-11,15-17,28H,12-14H2,1H3
InChIKeySCCBCSMIHDXPPM-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.50
Rot. Bonds6

About methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate

methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate (PubChem CID 176910363) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate
PubChem CID176910363
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Namemethyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc3ncn(CCc4c[nH]c5ccccc45)c(=O)c3c2)cc1
InChIInChI=1S/C27H23N3O3/c1-33-26(31)14-18-6-8-19(9-7-18)20-10-11-25-23(15-20)27(32)30(17-29-25)13-12-21-16-28-24-5-3-2-4-22(21)24/h2-11,15-17,28H,12-14H2,1H3
InChIKeySCCBCSMIHDXPPM-UHFFFAOYSA-N
XLogP4.50
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate with MolForge

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Related Compounds

methyl 4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]benzoate
CID 176910375
3-[2-(1H-indol-3-yl)ethyl]-6-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
CID 176910401
3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one
CID 176910366
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]oxane-4-carboxamide
CID 176910364
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 176910347
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
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]-2-nitrobenzenesulfonamide
CID 176910377
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate
CID 124877011
3-[4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-6,7-dimethoxyquinazolin-4-one
CID 11305667

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate (CID 176910363) is methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate is COC(=O)Cc1ccc(-c2ccc3ncn(CCc4c[nH]c5ccccc45)c(=O)c3c2)cc1.
What is the InChIKey of methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate?
The InChIKey is SCCBCSMIHDXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-33-26(31)14-18-6-8-19(9-7-18)20-10-11-25-23(15-20)27(32)30(17-29-25)13-12-21-16-28-24-5-3-2-4-22(21)24/h2-11,15-17,28H,12-14H2,1H3.
What are the key properties of methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate?
methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate has a molecular weight of 437.50 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]phenyl]acetate is sourced from PubChem (CID 176910363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).