N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C18H14N4O2 — CID 39310773

IUPACN-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C18H14N4O2/c23-17(21-13-6-5-12-7-8-19-16(12)9-13)10-22-11-20-15-4-2-1-3-14(15)18(22)24/h1-9,11,19H,10H2,(H,21,23)
InChIKeyUUPVTOPOLOCQCD-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.52
Rot. Bonds3

About N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 39310773) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID39310773
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C18H14N4O2/c23-17(21-13-6-5-12-7-8-19-16(12)9-13)10-22-11-20-15-4-2-1-3-14(15)18(22)24/h1-9,11,19H,10H2,(H,21,23)
InChIKeyUUPVTOPOLOCQCD-UHFFFAOYSA-N
XLogP2.52
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938928
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 47775569
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938230
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26682960
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2524126

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 39310773) is N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is UUPVTOPOLOCQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(21-13-6-5-12-7-8-19-16(12)9-13)10-22-11-20-15-4-2-1-3-14(15)18(22)24/h1-9,11,19H,10H2,(H,21,23).
What are the key properties of N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 318.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 39310773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).