[4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol

C18H26N2O — CID 63445535

IUPAC[4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol
SMILESCCCCCN(c1cc(CO)nc2ccccc12)C(C)C
InChIInChI=1S/C18H26N2O/c1-4-5-8-11-20(14(2)3)18-12-15(13-21)19-17-10-7-6-9-16(17)18/h6-7,9-10,12,14,21H,4-5,8,11,13H2,1-3H3
InChIKeyFENSHDGQSAVCKR-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.13
Rot. Bonds7

About [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol

[4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol (PubChem CID 63445535) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol
PubChem CID63445535
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol
SMILESCCCCCN(c1cc(CO)nc2ccccc12)C(C)C
InChIInChI=1S/C18H26N2O/c1-4-5-8-11-20(14(2)3)18-12-15(13-21)19-17-10-7-6-9-16(17)18/h6-7,9-10,12,14,21H,4-5,8,11,13H2,1-3H3
InChIKeyFENSHDGQSAVCKR-UHFFFAOYSA-N
XLogP4.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol
CID 63376398
[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
CID 63375838
[4-(N-ethylanilino)quinolin-2-yl]methanol
CID 63376096
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
[4-[3,3-dimethylbutan-2-yl(methyl)amino]quinolin-2-yl]methanol
CID 63376235
[4-(N,4-dimethylanilino)quinolin-2-yl]methanol
CID 63375751
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970
2-(aminomethyl)-N,N-dibutylquinolin-4-amine
CID 63374040
[4-[2-methoxyethyl(methyl)amino]quinolin-2-yl]methanol
CID 63376401
N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296
4-[2-cyanoethyl(propan-2-yl)amino]quinoline-2-carboxylic acid
CID 63377065
2-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
CID 63375308

Frequently Asked Questions

What is the IUPAC name of [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol?
The IUPAC name of [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol (CID 63445535) is [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol.
What is the SMILES notation for [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol?
The canonical SMILES for [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol is CCCCCN(c1cc(CO)nc2ccccc12)C(C)C.
What is the InChIKey of [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol?
The InChIKey is FENSHDGQSAVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-5-8-11-20(14(2)3)18-12-15(13-21)19-17-10-7-6-9-16(17)18/h6-7,9-10,12,14,21H,4-5,8,11,13H2,1-3H3.
What are the key properties of [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol?
[4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol has a molecular weight of 286.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol is sourced from PubChem (CID 63445535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).