2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone

C22H28N2O2 — CID 142133155

IUPAC2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone
SMILESCOC1CCC(CC(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1
InChIInChI=1S/C22H28N2O2/c1-24-11-3-4-17-14-18-13-16(7-10-20(18)23-22(17)24)21(25)12-15-5-8-19(26-2)9-6-15/h7,10,13-15,19H,3-6,8-9,11-12H2,1-2H3
InChIKeyOFPWNLDJQPZWDE-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.40
Rot. Bonds4

About 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone

2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone (PubChem CID 142133155) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone
PubChem CID142133155
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone
SMILESCOC1CCC(CC(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1
InChIInChI=1S/C22H28N2O2/c1-24-11-3-4-17-14-18-13-16(7-10-20(18)23-22(17)24)21(25)12-15-5-8-19(26-2)9-6-15/h7,10,13-15,19H,3-6,8-9,11-12H2,1-2H3
InChIKeyOFPWNLDJQPZWDE-UHFFFAOYSA-N
XLogP4.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone?
The IUPAC name of 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone (CID 142133155) is 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone.
What is the SMILES notation for 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone?
The canonical SMILES for 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone is COC1CCC(CC(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1.
What is the InChIKey of 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone?
The InChIKey is OFPWNLDJQPZWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-24-11-3-4-17-14-18-13-16(7-10-20(18)23-22(17)24)21(25)12-15-5-8-19(26-2)9-6-15/h7,10,13-15,19H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone?
2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone has a molecular weight of 352.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)-1-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)ethanone is sourced from PubChem (CID 142133155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).