N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide

C24H24N4O3 — CID 176910364

IUPACN-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc2ncn(CCc3c[nH]c4ccccc34)c(=O)c2c1)C1CCOCC1
InChIInChI=1S/C24H24N4O3/c29-23(16-8-11-31-12-9-16)27-18-5-6-22-20(13-18)24(30)28(15-26-22)10-7-17-14-25-21-4-2-1-3-19(17)21/h1-6,13-16,25H,7-12H2,(H,27,29)
InChIKeyIAPWFTBSTHKOGB-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.49
Rot. Bonds5

About N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide

N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide (PubChem CID 176910364) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide
PubChem CID176910364
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc2ncn(CCc3c[nH]c4ccccc34)c(=O)c2c1)C1CCOCC1
InChIInChI=1S/C24H24N4O3/c29-23(16-8-11-31-12-9-16)27-18-5-6-22-20(13-18)24(30)28(15-26-22)10-7-17-14-25-21-4-2-1-3-19(17)21/h1-6,13-16,25H,7-12H2,(H,27,29)
InChIKeyIAPWFTBSTHKOGB-UHFFFAOYSA-N
XLogP3.49
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 176910347
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
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]-2-nitrobenzenesulfonamide
CID 176910377
3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one
CID 176910366
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-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
3-[2-(1H-indol-3-yl)ethyl]-6-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
CID 176910401
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide?
The IUPAC name of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide (CID 176910364) is N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide?
The canonical SMILES for N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide is O=C(Nc1ccc2ncn(CCc3c[nH]c4ccccc34)c(=O)c2c1)C1CCOCC1.
What is the InChIKey of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide?
The InChIKey is IAPWFTBSTHKOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-23(16-8-11-31-12-9-16)27-18-5-6-22-20(13-18)24(30)28(15-26-22)10-7-17-14-25-21-4-2-1-3-19(17)21/h1-6,13-16,25H,7-12H2,(H,27,29).
What are the key properties of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide?
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]oxane-4-carboxamide is sourced from PubChem (CID 176910364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).