N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide

C18H17N3O — CID 150009438

IUPACN-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide
SMILESCC(=O)NC1=C2C=CC=CC2N2C(C)=NC3=CC=CCC3=C12
InChIInChI=1S/C18H17N3O/c1-11-19-15-9-5-3-7-13(15)18-17(20-12(2)22)14-8-4-6-10-16(14)21(11)18/h3-6,8-10,16H,7H2,1-2H3,(H,20,22)
InChIKeyJVDYGOCWJQSNJP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.72
Rot. Bonds1

About N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide

N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide (PubChem CID 150009438) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide
PubChem CID150009438
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide
SMILESCC(=O)NC1=C2C=CC=CC2N2C(C)=NC3=CC=CCC3=C12
InChIInChI=1S/C18H17N3O/c1-11-19-15-9-5-3-7-13(15)18-17(20-12(2)22)14-8-4-6-10-16(14)21(11)18/h3-6,8-10,16H,7H2,1-2H3,(H,20,22)
InChIKeyJVDYGOCWJQSNJP-UHFFFAOYSA-N
XLogP2.72
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide
CID 177729858
6-{[rac-(2S,6S)-2,6-diallyl-4-methyl-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methylpyrimidin-4-ol
CID 137288343

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide?
The IUPAC name of N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide (CID 150009438) is N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide.
What is the SMILES notation for N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide?
The canonical SMILES for N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide is CC(=O)NC1=C2C=CC=CC2N2C(C)=NC3=CC=CCC3=C12.
What is the InChIKey of N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide?
The InChIKey is JVDYGOCWJQSNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-19-15-9-5-3-7-13(15)18-17(20-12(2)22)14-8-4-6-10-16(14)21(11)18/h3-6,8-10,16H,7H2,1-2H3,(H,20,22).
What are the key properties of N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide?
N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,7a-dihydroindolo[1,2-c]quinazolin-12-yl)acetamide is sourced from PubChem (CID 150009438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).