(1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone

C21H24FNO3 — CID 21061157

IUPAC(1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone
SMILESCOC1CCC(F)(C(=O)c2cc3cc4c(nc3cc2C)OCCC4)CC1
InChIInChI=1S/C21H24FNO3/c1-13-10-18-15(11-14-4-3-9-26-20(14)23-18)12-17(13)19(24)21(22)7-5-16(25-2)6-8-21/h10-12,16H,3-9H2,1-2H3
InChIKeyAQLPQXDTCKIYQB-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.35
Rot. Bonds3

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

(1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone (PubChem CID 21061157) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone.

Molecular Properties

Compound Name(1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone
PubChem CID21061157
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name(1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone
SMILESCOC1CCC(F)(C(=O)c2cc3cc4c(nc3cc2C)OCCC4)CC1
InChIInChI=1S/C21H24FNO3/c1-13-10-18-15(11-14-4-3-9-26-20(14)23-18)12-17(13)19(24)21(22)7-5-16(25-2)6-8-21/h10-12,16H,3-9H2,1-2H3
InChIKeyAQLPQXDTCKIYQB-UHFFFAOYSA-N
XLogP4.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone with MolForge

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Related Compounds

Jnj16259685
CID 11313361
(3-Ethyl-2-methoxyquinolin-6-yl)(4-methoxycyclohexyl)methanone
CID 10245890
R214127
CID 10470232
4-Methylphenyl 2-(4-methoxyphenyl)-6-methyl-4-quinolinecarboxylate
CID 1943579
Phenyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 5101161
1-(3-Ethyl-2-methyl-quinolin-6-yl)-2-(3-methoxy-phenyl)-ethanone
CID 11232413
3-Cyclohexa-1,5-dienyl-1-(3,4-dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-propan-1-one
CID 11347669
Chroman-3-yl-(3-ethyl-2-methyl-quinolin-6-yl)-methanone
CID 11461691
2-[3-(4-Methoxyphenyl)-1-benzo[f]quinolinyl]acetic acid ethyl ester
CID 1049989
1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-7-yl)-2-phenyl-ethanone
CID 11438114
Benzyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 155530731
9-methyl-6H-chromeno[4,3-b]quinolin-6-one
CID 2825585

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone?
The IUPAC name of (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone (CID 21061157) is (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone.
What is the SMILES notation for (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone?
The canonical SMILES for (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone is COC1CCC(F)(C(=O)c2cc3cc4c(nc3cc2C)OCCC4)CC1.
What is the InChIKey of (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone?
The InChIKey is AQLPQXDTCKIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-13-10-18-15(11-14-4-3-9-26-20(14)23-18)12-17(13)19(24)21(22)7-5-16(25-2)6-8-21/h10-12,16H,3-9H2,1-2H3.
What are the key properties of (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone?
(1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone has a molecular weight of 357.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-4-methoxycyclohexyl)-(8-methyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)methanone is sourced from PubChem (CID 21061157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).