4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol

C18H24N2O — CID 111457060

IUPAC4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol
SMILESCc1cc(CN(CCCCO)C2CC2)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-14-12-15(17-6-2-3-7-18(17)19-14)13-20(16-8-9-16)10-4-5-11-21/h2-3,6-7,12,16,21H,4-5,8-11,13H2,1H3
InChIKeyXNBIGPVTASZHOP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.28
Rot. Bonds7

About 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol

4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol (PubChem CID 111457060) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol
PubChem CID111457060
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol
SMILESCc1cc(CN(CCCCO)C2CC2)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-14-12-15(17-6-2-3-7-18(17)19-14)13-20(16-8-9-16)10-4-5-11-21/h2-3,6-7,12,16,21H,4-5,8-11,13H2,1H3
InChIKeyXNBIGPVTASZHOP-UHFFFAOYSA-N
XLogP3.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.28
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-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine
CID 102860146
4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
CID 79233798
1-cyclopropyl-2-[methyl-[(2-methylquinolin-4-yl)methyl]amino]ethanol
CID 111858846
2-[cyclobutyl(quinolin-4-ylmethyl)amino]ethanol
CID 102679767
4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol
CID 111431912
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
CID 103739535
4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol
CID 111457033
3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 102848805
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
CID 54945667

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol?
The IUPAC name of 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol (CID 111457060) is 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol?
The canonical SMILES for 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol is Cc1cc(CN(CCCCO)C2CC2)c2ccccc2n1.
What is the InChIKey of 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol?
The InChIKey is XNBIGPVTASZHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-12-15(17-6-2-3-7-18(17)19-14)13-20(16-8-9-16)10-4-5-11-21/h2-3,6-7,12,16,21H,4-5,8-11,13H2,1H3.
What are the key properties of 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol?
4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 111457060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).