4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol

C17H21ClN2O — CID 111431912

IUPAC4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol
SMILESOCCCCN(Cc1ccc(Cl)c2cccnc12)C1CC1
InChIInChI=1S/C17H21ClN2O/c18-16-8-5-13(17-15(16)4-3-9-19-17)12-20(14-6-7-14)10-1-2-11-21/h3-5,8-9,14,21H,1-2,6-7,10-12H2
InChIKeyNKMPMDGOXRHGSS-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.63
Rot. Bonds7

About 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol

4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol (PubChem CID 111431912) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol
PubChem CID111431912
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol
SMILESOCCCCN(Cc1ccc(Cl)c2cccnc12)C1CC1
InChIInChI=1S/C17H21ClN2O/c18-16-8-5-13(17-15(16)4-3-9-19-17)12-20(14-6-7-14)10-1-2-11-21/h3-5,8-9,14,21H,1-2,6-7,10-12H2
InChIKeyNKMPMDGOXRHGSS-UHFFFAOYSA-N
XLogP3.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.63
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

N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine
CID 60506252
3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol
CID 102859911
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
2-[(5-chloroquinolin-8-yl)methyl-ethylamino]ethanol
CID 60509838
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514
2-[cyclopentyl(quinolin-8-ylmethyl)amino]ethanol
CID 60912446
4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol
CID 111457060
N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
CID 104979426
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
CID 106869320

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol?
The IUPAC name of 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol (CID 111431912) is 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol.
What is the SMILES notation for 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol?
The canonical SMILES for 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol is OCCCCN(Cc1ccc(Cl)c2cccnc12)C1CC1.
What is the InChIKey of 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol?
The InChIKey is NKMPMDGOXRHGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-16-8-5-13(17-15(16)4-3-9-19-17)12-20(14-6-7-14)10-1-2-11-21/h3-5,8-9,14,21H,1-2,6-7,10-12H2.
What are the key properties of 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol?
4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol has a molecular weight of 304.82 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol is sourced from PubChem (CID 111431912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).