N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide

C19H16N4O2 — CID 71703658

IUPACN-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide
SMILESO=C(NCCn1cnc2ccccc2c1=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H16N4O2/c24-18(14-5-6-16-13(11-14)7-8-20-16)21-9-10-23-12-22-17-4-2-1-3-15(17)19(23)25/h1-8,11-12,20H,9-10H2,(H,21,24)
InChIKeyNCSXCIHUTMEKLD-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide

N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide (PubChem CID 71703658) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide
PubChem CID71703658
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide
SMILESO=C(NCCn1cnc2ccccc2c1=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C19H16N4O2/c24-18(14-5-6-16-13(11-14)7-8-20-16)21-9-10-23-12-22-17-4-2-1-3-15(17)19(23)25/h1-8,11-12,20H,9-10H2,(H,21,24)
InChIKeyNCSXCIHUTMEKLD-UHFFFAOYSA-N
XLogP2.31
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide (CID 71703658) is N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide is O=C(NCCn1cnc2ccccc2c1=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide?
The InChIKey is NCSXCIHUTMEKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18(14-5-6-16-13(11-14)7-8-20-16)21-9-10-23-12-22-17-4-2-1-3-15(17)19(23)25/h1-8,11-12,20H,9-10H2,(H,21,24).
What are the key properties of N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide?
N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 71703658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).