2-[(4-hexoxyphenyl)methyl]quinolin-4-amine

C22H26N2O — CID 175093861

IUPAC2-[(4-hexoxyphenyl)methyl]quinolin-4-amine
SMILESCCCCCCOc1ccc(Cc2cc(N)c3ccccc3n2)cc1
InChIInChI=1S/C22H26N2O/c1-2-3-4-7-14-25-19-12-10-17(11-13-19)15-18-16-21(23)20-8-5-6-9-22(20)24-18/h5-6,8-13,16H,2-4,7,14-15H2,1H3,(H2,23,24)
InChIKeyGOQATNKHYDCARQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.37
Rot. Bonds8

About 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine

2-[(4-hexoxyphenyl)methyl]quinolin-4-amine (PubChem CID 175093861) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(4-hexoxyphenyl)methyl]quinolin-4-amine
PubChem CID175093861
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-[(4-hexoxyphenyl)methyl]quinolin-4-amine
SMILESCCCCCCOc1ccc(Cc2cc(N)c3ccccc3n2)cc1
InChIInChI=1S/C22H26N2O/c1-2-3-4-7-14-25-19-12-10-17(11-13-19)15-18-16-21(23)20-8-5-6-9-22(20)24-18/h5-6,8-13,16H,2-4,7,14-15H2,1H3,(H2,23,24)
InChIKeyGOQATNKHYDCARQ-UHFFFAOYSA-N
XLogP5.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
2-(4-butoxyphenyl)quinolin-4-amine
CID 95493431
2-pentylquinolin-4-amine
CID 14082309
(4-heptoxyquinolin-2-yl)methanamine
CID 63377719
2-[(heptan-2-ylamino)methyl]quinolin-4-amine
CID 115485806
4-pentoxyquinolin-2-amine
CID 118174578
(4-decoxyphenyl)methanamine
CID 55187501
pentoxybenzene;undecane
CID 174778179
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol
CID 20650414
2-(methoxymethyl)quinolin-4-amine
CID 62320068
5-[(4-heptoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10335810

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine?
The IUPAC name of 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine (CID 175093861) is 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine is CCCCCCOc1ccc(Cc2cc(N)c3ccccc3n2)cc1.
What is the InChIKey of 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine?
The InChIKey is GOQATNKHYDCARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-3-4-7-14-25-19-12-10-17(11-13-19)15-18-16-21(23)20-8-5-6-9-22(20)24-18/h5-6,8-13,16H,2-4,7,14-15H2,1H3,(H2,23,24).
What are the key properties of 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine?
2-[(4-hexoxyphenyl)methyl]quinolin-4-amine has a molecular weight of 334.46 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hexoxyphenyl)methyl]quinolin-4-amine is sourced from PubChem (CID 175093861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).