N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide

C31H39FN2O4 — CID 160809378

IUPACN-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide
SMILESO=C(CCOCCc1cccc(F)c1)N(CCCCCc1ccc(O)c2[nH]c(=O)ccc12)C1CCCCC1
InChIInChI=1S/C31H39FN2O4/c32-25-10-7-8-23(22-25)17-20-38-21-18-30(37)34(26-11-4-1-5-12-26)19-6-2-3-9-24-13-15-28(35)31-27(24)14-16-29(36)33-31/h7-8,10,13-16,22,26,35H,1-6,9,11-12,17-21H2,(H,33,36)
InChIKeySECQFJLVEQURJH-UHFFFAOYSA-N
MW522.66 g/mol
LogP5.90
Rot. Bonds13

About N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide

N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide (PubChem CID 160809378) has the molecular formula C31H39FN2O4 and a molecular weight of 522.66 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide
PubChem CID160809378
Molecular FormulaC31H39FN2O4
Molecular Weight522.66 g/mol
Exact Mass522.29
IUPAC NameN-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide
SMILESO=C(CCOCCc1cccc(F)c1)N(CCCCCc1ccc(O)c2[nH]c(=O)ccc12)C1CCCCC1
InChIInChI=1S/C31H39FN2O4/c32-25-10-7-8-23(22-25)17-20-38-21-18-30(37)34(26-11-4-1-5-12-26)19-6-2-3-9-24-13-15-28(35)31-27(24)14-16-29(36)33-31/h7-8,10,13-16,22,26,35H,1-6,9,11-12,17-21H2,(H,33,36)
InChIKeySECQFJLVEQURJH-UHFFFAOYSA-N
XLogP5.90
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.66
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]-3-(2-phenylethoxy)propanamide;2,2,2-trifluoroacetaldehyde
CID 159227372
N-cyclohexyl-3-[2-(3,4-difluorophenyl)ethoxy]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;hydrochloride
CID 68706711
N-cycloheptyl-3-[2-(3-fluorophenyl)ethylamino]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 157388112
N-cycloheptyl-3-[2-(3-ethoxyphenyl)ethylamino]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide;bis(2,2,2-trifluoroacetic acid)
CID 87544299
N-cycloheptyl-3-[2-(3-fluorophenyl)ethylamino]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]propanamide
CID 59263892
3-[2-(4-chlorophenyl)ethylamino]-N-cyclohexyl-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]propanamide
CID 24959989
3-[2-(2-chloro-4-fluorophenyl)ethylamino]-N-cycloheptyl-N-[5-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)pentyl]propanamide
CID 59158110
N-cycloheptyl-3-[2-(2,6-difluorophenyl)ethylamino]-N-[5-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)pentyl]propanamide
CID 59158100
N-[(2R)-butan-2-yl]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]-3-(2-phenylethoxy)propanamide;hydrochloride
CID 68708562
bis(2-benzamidoacetic acid);N-cyclohexyl-3-[2-(3-fluorophenyl)ethylamino]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]propanamide
CID 161314487
3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120611880
3-[2-(3-chlorophenyl)ethylamino]-N-cyclohexyl-N-[5-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)pentyl]propanamide
CID 159582960

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide (CID 160809378) is N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide is O=C(CCOCCc1cccc(F)c1)N(CCCCCc1ccc(O)c2[nH]c(=O)ccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide?
The InChIKey is SECQFJLVEQURJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN2O4/c32-25-10-7-8-23(22-25)17-20-38-21-18-30(37)34(26-11-4-1-5-12-26)19-6-2-3-9-24-13-15-28(35)31-27(24)14-16-29(36)33-31/h7-8,10,13-16,22,26,35H,1-6,9,11-12,17-21H2,(H,33,36).
What are the key properties of N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide?
N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide has a molecular weight of 522.66 g/mol, XLogP of 5.90, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-[5-(8-hydroxy-2-oxo-1H-quinolin-5-yl)pentyl]propanamide is sourced from PubChem (CID 160809378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).