(4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone

C22H27NO2 — CID 11209923

IUPAC(4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone
SMILESCOC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCCCC4)CC1
InChIInChI=1S/C22H27NO2/c1-25-19-10-7-15(8-11-19)22(24)17-9-12-21-18(14-17)13-16-5-3-2-4-6-20(16)23-21/h9,12-15,19H,2-8,10-11H2,1H3
InChIKeyNPOBWKADZAGENT-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.89
Rot. Bonds3

About (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone

(4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone (PubChem CID 11209923) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone
PubChem CID11209923
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone
SMILESCOC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCCCC4)CC1
InChIInChI=1S/C22H27NO2/c1-25-19-10-7-15(8-11-19)22(24)17-9-12-21-18(14-17)13-16-5-3-2-4-6-20(16)23-21/h9,12-15,19H,2-8,10-11H2,1H3
InChIKeyNPOBWKADZAGENT-UHFFFAOYSA-N
XLogP4.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone?
The IUPAC name of (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone (CID 11209923) is (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone.
What is the SMILES notation for (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone?
The canonical SMILES for (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone is COC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCCCC4)CC1.
What is the InChIKey of (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone?
The InChIKey is NPOBWKADZAGENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-25-19-10-7-15(8-11-19)22(24)17-9-12-21-18(14-17)13-16-5-3-2-4-6-20(16)23-21/h9,12-15,19H,2-8,10-11H2,1H3.
What are the key properties of (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone?
(4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone has a molecular weight of 337.46 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl)methanone is sourced from PubChem (CID 11209923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).