10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

C20H20N2O2 — CID 70068921

IUPAC10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESCc1[nH]ccc(=O)c1CC1CCc2c(C)c3ccccc3n2C1=O
InChIInChI=1S/C20H20N2O2/c1-12-15-5-3-4-6-18(15)22-17(12)8-7-14(20(22)24)11-16-13(2)21-10-9-19(16)23/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyNZFRETOUULJJLF-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.39
Rot. Bonds2

About 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (PubChem CID 70068921) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
PubChem CID70068921
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESCc1[nH]ccc(=O)c1CC1CCc2c(C)c3ccccc3n2C1=O
InChIInChI=1S/C20H20N2O2/c1-12-15-5-3-4-6-18(15)22-17(12)8-7-14(20(22)24)11-16-13(2)21-10-9-19(16)23/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyNZFRETOUULJJLF-UHFFFAOYSA-N
XLogP3.39
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The IUPAC name of 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (CID 70068921) is 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.
What is the SMILES notation for 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The canonical SMILES for 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is Cc1[nH]ccc(=O)c1CC1CCc2c(C)c3ccccc3n2C1=O.
What is the InChIKey of 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The InChIKey is NZFRETOUULJJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-15-5-3-4-6-18(15)22-17(12)8-7-14(20(22)24)11-16-13(2)21-10-9-19(16)23/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one has a molecular weight of 320.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is sourced from PubChem (CID 70068921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).