6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one

C24H29N3O4 — CID 15999569

IUPAC6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(cc1OC)C(C(=O)N1CCCC(C)C1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C24H29N3O4/c1-15-7-6-10-27(14-15)24(29)21-17-11-19(30-3)20(31-4)12-18(17)23(28)26(2)22(21)16-8-5-9-25-13-16/h5,8-9,11-13,15,21-22H,6-7,10,14H2,1-4H3
InChIKeyMSYXQMORRMGGDK-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.27
Rot. Bonds4

About 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one

6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 15999569) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
PubChem CID15999569
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(cc1OC)C(C(=O)N1CCCC(C)C1)C(c1cccnc1)N(C)C2=O
InChIInChI=1S/C24H29N3O4/c1-15-7-6-10-27(14-15)24(29)21-17-11-19(30-3)20(31-4)12-18(17)23(28)26(2)22(21)16-8-5-9-25-13-16/h5,8-9,11-13,15,21-22H,6-7,10,14H2,1-4H3
InChIKeyMSYXQMORRMGGDK-UHFFFAOYSA-N
XLogP3.27
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one (CID 15999569) is 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one is COc1cc2c(cc1OC)C(C(=O)N1CCCC(C)C1)C(c1cccnc1)N(C)C2=O.
What is the InChIKey of 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is MSYXQMORRMGGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-15-7-6-10-27(14-15)24(29)21-17-11-19(30-3)20(31-4)12-18(17)23(28)26(2)22(21)16-8-5-9-25-13-16/h5,8-9,11-13,15,21-22H,6-7,10,14H2,1-4H3.
What are the key properties of 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one?
6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 423.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-4-(3-methylpiperidine-1-carbonyl)-3-pyridin-3-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 15999569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).