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

C24H19N5O2 — CID 176910347

IUPACN-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2ncn(CCc3c[nH]c4ccccc34)c(=O)c2c1)c1cccnc1
InChIInChI=1S/C24H19N5O2/c30-23(17-4-3-10-25-13-17)28-18-7-8-22-20(12-18)24(31)29(15-27-22)11-9-16-14-26-21-6-2-1-5-19(16)21/h1-8,10,12-15,26H,9,11H2,(H,28,30)
InChIKeyPKGAESZXMIUQMP-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.77
Rot. Bonds5

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

N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide (PubChem CID 176910347) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
PubChem CID176910347
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2ncn(CCc3c[nH]c4ccccc34)c(=O)c2c1)c1cccnc1
InChIInChI=1S/C24H19N5O2/c30-23(17-4-3-10-25-13-17)28-18-7-8-22-20(12-18)24(31)29(15-27-22)11-9-16-14-26-21-6-2-1-5-19(16)21/h1-8,10,12-15,26H,9,11H2,(H,28,30)
InChIKeyPKGAESZXMIUQMP-UHFFFAOYSA-N
XLogP3.77
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.77
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]oxane-4-carboxamide
CID 176910364
N-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 46400273
methyl 4-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]benzoate
CID 176910375
3-[2-(1H-indol-3-yl)ethyl]-6-quinolin-7-ylquinazolin-4-one
CID 176910366
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]-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
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide
CID 176910338
3-[2-(1H-indol-3-yl)ethyl]-6-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
CID 176910401
6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
CID 176910383
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813
N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide
CID 75490458

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide (CID 176910347) is N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide is O=C(Nc1ccc2ncn(CCc3c[nH]c4ccccc34)c(=O)c2c1)c1cccnc1.
What is the InChIKey of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide?
The InChIKey is PKGAESZXMIUQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c30-23(17-4-3-10-25-13-17)28-18-7-8-22-20(12-18)24(31)29(15-27-22)11-9-16-14-26-21-6-2-1-5-19(16)21/h1-8,10,12-15,26H,9,11H2,(H,28,30).
What are the key properties of N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide?
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.77, 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]pyridine-3-carboxamide is sourced from PubChem (CID 176910347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).