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

C21H26N2O2 — CID 11450605

IUPAC(4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone
SMILESCOC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1
InChIInChI=1S/C21H26N2O2/c1-23-11-3-4-16-13-17-12-15(7-10-19(17)22-21(16)23)20(24)14-5-8-18(25-2)9-6-14/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3
InChIKeyFEMYXLZHLZHXFH-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.01
Rot. Bonds3

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

(4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone (PubChem CID 11450605) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone.

Molecular Properties

Compound Name(4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone
PubChem CID11450605
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone
SMILESCOC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1
InChIInChI=1S/C21H26N2O2/c1-23-11-3-4-16-13-17-12-15(7-10-19(17)22-21(16)23)20(24)14-5-8-18(25-2)9-6-14/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3
InChIKeyFEMYXLZHLZHXFH-UHFFFAOYSA-N
XLogP4.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone?
The IUPAC name of (4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone (CID 11450605) is (4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone.
What is the SMILES notation for (4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone?
The canonical SMILES for (4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone is COC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCCN4C)CC1.
What is the InChIKey of (4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone?
The InChIKey is FEMYXLZHLZHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23-11-3-4-16-13-17-12-15(7-10-19(17)22-21(16)23)20(24)14-5-8-18(25-2)9-6-14/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3.
What are the key properties of (4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone?
(4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)-(1-methyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-7-yl)methanone is sourced from PubChem (CID 11450605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).