N-pentyl-3-phenylquinolin-2-amine

C20H22N2 — CID 68572649

IUPACN-pentyl-3-phenylquinolin-2-amine
SMILESCCCCCNc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C20H22N2/c1-2-3-9-14-21-20-18(16-10-5-4-6-11-16)15-17-12-7-8-13-19(17)22-20/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,21,22)
InChIKeyCGKYIBFMYBGTIV-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.50
Rot. Bonds6

About N-pentyl-3-phenylquinolin-2-amine

N-pentyl-3-phenylquinolin-2-amine (PubChem CID 68572649) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-pentyl-3-phenylquinolin-2-amine.

Molecular Properties

Compound NameN-pentyl-3-phenylquinolin-2-amine
PubChem CID68572649
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-pentyl-3-phenylquinolin-2-amine
SMILESCCCCCNc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C20H22N2/c1-2-3-9-14-21-20-18(16-10-5-4-6-11-16)15-17-12-7-8-13-19(17)22-20/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,21,22)
InChIKeyCGKYIBFMYBGTIV-UHFFFAOYSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine
CID 164677719
acridine;heptane
CID 158562494
N-dodecylquinolin-2-amine
CID 160510159
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
N-hexyl-5,6-diphenylpyridazin-3-amine
CID 11110352
3-methyl-N-(7-methyloctyl)quinolin-2-amine
CID 107816294
5-bromo-N-pentyl-2-phenylaniline
CID 156564317
N-ethyl-3-propylquinolin-2-amine
CID 63232591
N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine
CID 134130331
2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane
CID 174779810

Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-phenylquinolin-2-amine?
The IUPAC name of N-pentyl-3-phenylquinolin-2-amine (CID 68572649) is N-pentyl-3-phenylquinolin-2-amine.
What is the SMILES notation for N-pentyl-3-phenylquinolin-2-amine?
The canonical SMILES for N-pentyl-3-phenylquinolin-2-amine is CCCCCNc1nc2ccccc2cc1-c1ccccc1.
What is the InChIKey of N-pentyl-3-phenylquinolin-2-amine?
The InChIKey is CGKYIBFMYBGTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-2-3-9-14-21-20-18(16-10-5-4-6-11-16)15-17-12-7-8-13-19(17)22-20/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,21,22).
What are the key properties of N-pentyl-3-phenylquinolin-2-amine?
N-pentyl-3-phenylquinolin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-phenylquinolin-2-amine is sourced from PubChem (CID 68572649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).