7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one

C13H14N2O2 — CID 15112644

IUPAC7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one
SMILESCOc1ccc2c(c1)c(C)c1n2C(=O)NCC1
InChIInChI=1S/C13H14N2O2/c1-8-10-7-9(17-2)3-4-12(10)15-11(8)5-6-14-13(15)16/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyQDMGRGBTCYIYGQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.07
Rot. Bonds1

About 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one

7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one (PubChem CID 15112644) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one.

Molecular Properties

Compound Name7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one
PubChem CID15112644
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one
SMILESCOc1ccc2c(c1)c(C)c1n2C(=O)NCC1
InChIInChI=1S/C13H14N2O2/c1-8-10-7-9(17-2)3-4-12(10)15-11(8)5-6-14-13(15)16/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyQDMGRGBTCYIYGQ-UHFFFAOYSA-N
XLogP2.07
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one?
The IUPAC name of 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one (CID 15112644) is 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one.
What is the SMILES notation for 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one?
The canonical SMILES for 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one is COc1ccc2c(c1)c(C)c1n2C(=O)NCC1.
What is the InChIKey of 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one?
The InChIKey is QDMGRGBTCYIYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-10-7-9(17-2)3-4-12(10)15-11(8)5-6-14-13(15)16/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one?
7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one has a molecular weight of 230.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-3,4-dihydro-2H-pyrimido[1,6-a]indol-1-one is sourced from PubChem (CID 15112644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).