4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline

C22H33NO3 — CID 70884224

IUPAC4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline
SMILESCCCCOCCCOCc1nc2ccccc2c(OCCCC)c1C
InChIInChI=1S/C22H33NO3/c1-4-6-13-24-14-10-15-25-17-21-18(3)22(26-16-7-5-2)19-11-8-9-12-20(19)23-21/h8-9,11-12H,4-7,10,13-17H2,1-3H3
InChIKeyUOSNGNMPEXEAGI-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.45
Rot. Bonds13

About 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline

4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline (PubChem CID 70884224) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline.

Molecular Properties

Compound Name4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline
PubChem CID70884224
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline
SMILESCCCCOCCCOCc1nc2ccccc2c(OCCCC)c1C
InChIInChI=1S/C22H33NO3/c1-4-6-13-24-14-10-15-25-17-21-18(3)22(26-16-7-5-2)19-11-8-9-12-20(19)23-21/h8-9,11-12H,4-7,10,13-17H2,1-3H3
InChIKeyUOSNGNMPEXEAGI-UHFFFAOYSA-N
XLogP5.45
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline
CID 59527122
2-[(5-bromopyrimidin-2-yl)oxymethyl]-4-butoxy-3-methylquinoline
CID 70839521
2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-1-piperidin-1-ylethanone
CID 70839407
3-methyl-2-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-4-phenylmethoxyquinoline
CID 59526885
(4-butoxy-3-methylquinolin-2-yl)methyl morpholine-4-carboxylate
CID 70839227
4-butoxy-3-methyl-2-[[5-(oxan-4-ylmethoxy)-3-pyridinyl]oxymethyl]quinoline
CID 70839607
4-butoxy-3-methyl-2-[[4-(oxan-4-ylmethoxymethyl)-2-pyridinyl]oxymethyl]quinoline
CID 70839324
5-[[2-[(4-butoxy-3-methylquinolin-2-yl)methoxy]-4-pyridinyl]oxy]pentan-2-one
CID 70839620
4-butoxy-2-[[3-methoxy-5-(3-methyl-3-nitrosobutoxy)phenoxy]methyl]-3-methylquinoline
CID 89063758
4-butoxy-3-methyl-2-[[2-(oxan-4-ylmethoxy)-4-pyridinyl]oxymethyl]quinoline
CID 70839489
(4-butoxy-3-methylquinolin-2-yl)methyl N-[2-(3,4-dichlorophenyl)ethyl]carbamate
CID 70839537
4-(2-butoxyethoxy)quinolin-3-amine
CID 103963666

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline?
The IUPAC name of 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline (CID 70884224) is 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline.
What is the SMILES notation for 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline?
The canonical SMILES for 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline is CCCCOCCCOCc1nc2ccccc2c(OCCCC)c1C.
What is the InChIKey of 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline?
The InChIKey is UOSNGNMPEXEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-4-6-13-24-14-10-15-25-17-21-18(3)22(26-16-7-5-2)19-11-8-9-12-20(19)23-21/h8-9,11-12H,4-7,10,13-17H2,1-3H3.
What are the key properties of 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline?
4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline has a molecular weight of 359.51 g/mol, XLogP of 5.45, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-(3-butoxypropoxymethyl)-3-methylquinoline is sourced from PubChem (CID 70884224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).