[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate

C22H23NO3 — CID 143099066

IUPAC[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C22H23NO3/c1-3-4-9-22(24)26-19-12-10-18(11-13-19)25-15-17-14-16(2)23-21-8-6-5-7-20(17)21/h5-8,10-14H,3-4,9,15H2,1-2H3
InChIKeyFURWLJJMZRHBRL-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.22
Rot. Bonds7

About [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate

[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate (PubChem CID 143099066) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate.

Molecular Properties

Compound Name[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate
PubChem CID143099066
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C22H23NO3/c1-3-4-9-22(24)26-19-12-10-18(11-13-19)25-15-17-14-16(2)23-21-8-6-5-7-20(17)21/h5-8,10-14H,3-4,9,15H2,1-2H3
InChIKeyFURWLJJMZRHBRL-UHFFFAOYSA-N
XLogP5.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
CID 162335511
CID 162335511
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
CID 79234546
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
[4-(4-phenylmethoxyphenyl)phenyl] nonanoate
CID 101126804
1-(2-methylquinolin-4-yl)hexan-3-one
CID 79429367
(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide
CID 163750186
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
[1,1-dihydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-propan-2-yl-1,4-thiazinan-2-yl] butanoate
CID 91254308
N-[(3S,4S)-1-butyl-4-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 139969121

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate?
The IUPAC name of [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate (CID 143099066) is [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate.
What is the SMILES notation for [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate?
The canonical SMILES for [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate is CCCCC(=O)Oc1ccc(OCc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate?
The InChIKey is FURWLJJMZRHBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-3-4-9-22(24)26-19-12-10-18(11-13-19)25-15-17-14-16(2)23-21-8-6-5-7-20(17)21/h5-8,10-14H,3-4,9,15H2,1-2H3.
What are the key properties of [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate?
[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate has a molecular weight of 349.43 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate is sourced from PubChem (CID 143099066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).