[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol

C17H22N2O — CID 63375838

IUPAC[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
SMILESCCCCN(c1cc(CO)nc2ccccc12)C1CC1
InChIInChI=1S/C17H22N2O/c1-2-3-10-19(14-8-9-14)17-11-13(12-20)18-16-7-5-4-6-15(16)17/h4-7,11,14,20H,2-3,8-10,12H2,1H3
InChIKeyXYUJWAZUZHWQLS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds6

About [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol

[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol (PubChem CID 63375838) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
PubChem CID63375838
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
SMILESCCCCN(c1cc(CO)nc2ccccc12)C1CC1
InChIInChI=1S/C17H22N2O/c1-2-3-10-19(14-8-9-14)17-11-13(12-20)18-16-7-5-4-6-15(16)17/h4-7,11,14,20H,2-3,8-10,12H2,1H3
InChIKeyXYUJWAZUZHWQLS-UHFFFAOYSA-N
XLogP3.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol
CID 63445535
[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol
CID 63376398
N-cyclopropyl-N-(2-methoxyethyl)-2-(methylaminomethyl)quinolin-4-amine
CID 63377069
N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine
CID 63373958
2-(aminomethyl)-N,N-dibutylquinolin-4-amine
CID 63374040
[4-(N-ethylanilino)quinolin-2-yl]methanol
CID 63376096
[4-[cyclohexylmethyl(methyl)amino]quinolin-2-yl]methanol
CID 63375839
N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296
[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
CID 106768094
[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
CID 61445229
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208

Frequently Asked Questions

What is the IUPAC name of [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol?
The IUPAC name of [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol (CID 63375838) is [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol.
What is the SMILES notation for [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol?
The canonical SMILES for [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol is CCCCN(c1cc(CO)nc2ccccc12)C1CC1.
What is the InChIKey of [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol?
The InChIKey is XYUJWAZUZHWQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-3-10-19(14-8-9-14)17-11-13(12-20)18-16-7-5-4-6-15(16)17/h4-7,11,14,20H,2-3,8-10,12H2,1H3.
What are the key properties of [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol?
[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol has a molecular weight of 270.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol is sourced from PubChem (CID 63375838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).