2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline

C25H31NO2 — CID 59527122

IUPAC2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline
SMILESCCCCCCCOCc1nc2ccccc2c(OCc2ccccc2)c1C
InChIInChI=1S/C25H31NO2/c1-3-4-5-6-12-17-27-19-24-20(2)25(22-15-10-11-16-23(22)26-24)28-18-21-13-8-7-9-14-21/h7-11,13-16H,3-6,12,17-19H2,1-2H3
InChIKeyUMYYFGIQNAQNFB-UHFFFAOYSA-N
MW377.53 g/mol
LogP6.61
Rot. Bonds11

About 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline

2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline (PubChem CID 59527122) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline.

Molecular Properties

Compound Name2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline
PubChem CID59527122
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline
SMILESCCCCCCCOCc1nc2ccccc2c(OCc2ccccc2)c1C
InChIInChI=1S/C25H31NO2/c1-3-4-5-6-12-17-27-19-24-20(2)25(22-15-10-11-16-23(22)26-24)28-18-21-13-8-7-9-14-21/h7-11,13-16H,3-6,12,17-19H2,1-2H3
InChIKeyUMYYFGIQNAQNFB-UHFFFAOYSA-N
XLogP6.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-4-phenylmethoxyquinoline
CID 59526885
4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline
CID 70884224
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline
CID 59526978
3-methyl-4-phenylmethoxy-2-(pyridin-2-yloxymethyl)quinoline
CID 59527387
N-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl]-1-phenylmethanamine
CID 59526922
azane;hexoxymethylbenzene
CID 174805489
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
2-[(5-bromopyrimidin-2-yl)oxymethyl]-4-butoxy-3-methylquinoline
CID 70839521

Frequently Asked Questions

What is the IUPAC name of 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline?
The IUPAC name of 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline (CID 59527122) is 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline.
What is the SMILES notation for 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline?
The canonical SMILES for 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline is CCCCCCCOCc1nc2ccccc2c(OCc2ccccc2)c1C.
What is the InChIKey of 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline?
The InChIKey is UMYYFGIQNAQNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-3-4-5-6-12-17-27-19-24-20(2)25(22-15-10-11-16-23(22)26-24)28-18-21-13-8-7-9-14-21/h7-11,13-16H,3-6,12,17-19H2,1-2H3.
What are the key properties of 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline?
2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline has a molecular weight of 377.53 g/mol, XLogP of 6.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline is sourced from PubChem (CID 59527122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).