4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol

C15H19ClN2O2 — CID 103876224

IUPAC4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H19ClN2O2/c1-20-10-12(19)6-8-17-9-11-4-5-14(16)13-3-2-7-18-15(11)13/h2-5,7,12,17,19H,6,8-10H2,1H3
InChIKeyGUPVWAVJDSBHOE-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.38
Rot. Bonds7

About 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol

4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol (PubChem CID 103876224) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
PubChem CID103876224
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H19ClN2O2/c1-20-10-12(19)6-8-17-9-11-4-5-14(16)13-3-2-7-18-15(11)13/h2-5,7,12,17,19H,6,8-10H2,1H3
InChIKeyGUPVWAVJDSBHOE-UHFFFAOYSA-N
XLogP2.38
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103766069
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol
CID 167757522
N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine
CID 103765844
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
4-[(3-chloro-2-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876397
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
CID 112699454

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol (CID 103876224) is 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol is COCC(O)CCNCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol?
The InChIKey is GUPVWAVJDSBHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-20-10-12(19)6-8-17-9-11-4-5-14(16)13-3-2-7-18-15(11)13/h2-5,7,12,17,19H,6,8-10H2,1H3.
What are the key properties of 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol?
4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol has a molecular weight of 294.78 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 103876224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).