(4-propylcyclohexyl)-quinolin-7-ylmethanone

C19H23NO — CID 81197348

IUPAC(4-propylcyclohexyl)-quinolin-7-ylmethanone
SMILESCCCC1CCC(C(=O)c2ccc3cccnc3c2)CC1
InChIInChI=1S/C19H23NO/c1-2-4-14-6-8-16(9-7-14)19(21)17-11-10-15-5-3-12-20-18(15)13-17/h3,5,10-14,16H,2,4,6-9H2,1H3
InChIKeyMCZUAKLRDIZJHM-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.02
Rot. Bonds4

About (4-propylcyclohexyl)-quinolin-7-ylmethanone

(4-propylcyclohexyl)-quinolin-7-ylmethanone (PubChem CID 81197348) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (4-propylcyclohexyl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(4-propylcyclohexyl)-quinolin-7-ylmethanone
PubChem CID81197348
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(4-propylcyclohexyl)-quinolin-7-ylmethanone
SMILESCCCC1CCC(C(=O)c2ccc3cccnc3c2)CC1
InChIInChI=1S/C19H23NO/c1-2-4-14-6-8-16(9-7-14)19(21)17-11-10-15-5-3-12-20-18(15)13-17/h3,5,10-14,16H,2,4,6-9H2,1H3
InChIKeyMCZUAKLRDIZJHM-UHFFFAOYSA-N
XLogP5.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidin-3-yl(quinolin-7-yl)methanone
CID 116568273
quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941860
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-quinolin-7-ylmethanone
CID 171941871
(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
CID 65424840
2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropan-1-one
CID 81220953
[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone
CID 116589113
(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 121479164
isoquinolin-8-yl-(4-propylcyclohexyl)methanone
CID 103143308
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024

Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl)-quinolin-7-ylmethanone?
The IUPAC name of (4-propylcyclohexyl)-quinolin-7-ylmethanone (CID 81197348) is (4-propylcyclohexyl)-quinolin-7-ylmethanone.
What is the SMILES notation for (4-propylcyclohexyl)-quinolin-7-ylmethanone?
The canonical SMILES for (4-propylcyclohexyl)-quinolin-7-ylmethanone is CCCC1CCC(C(=O)c2ccc3cccnc3c2)CC1.
What is the InChIKey of (4-propylcyclohexyl)-quinolin-7-ylmethanone?
The InChIKey is MCZUAKLRDIZJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-4-14-6-8-16(9-7-14)19(21)17-11-10-15-5-3-12-20-18(15)13-17/h3,5,10-14,16H,2,4,6-9H2,1H3.
What are the key properties of (4-propylcyclohexyl)-quinolin-7-ylmethanone?
(4-propylcyclohexyl)-quinolin-7-ylmethanone has a molecular weight of 281.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl)-quinolin-7-ylmethanone is sourced from PubChem (CID 81197348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).