3-(quinolin-2-ylamino)propan-1-ol

C12H14N2O — CID 581988

IUPAC3-(quinolin-2-ylamino)propan-1-ol
SMILESOCCCNc1ccc2ccccc2n1
InChIInChI=1S/C12H14N2O/c15-9-3-8-13-12-7-6-10-4-1-2-5-11(10)14-12/h1-2,4-7,15H,3,8-9H2,(H,13,14)
InChIKeyWTPSVPGTKRIMQM-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.03
Rot. Bonds4

About 3-(quinolin-2-ylamino)propan-1-ol

3-(quinolin-2-ylamino)propan-1-ol (PubChem CID 581988) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(quinolin-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(quinolin-2-ylamino)propan-1-ol
PubChem CID581988
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(quinolin-2-ylamino)propan-1-ol
SMILESOCCCNc1ccc2ccccc2n1
InChIInChI=1S/C12H14N2O/c15-9-3-8-13-12-7-6-10-4-1-2-5-11(10)14-12/h1-2,4-7,15H,3,8-9H2,(H,13,14)
InChIKeyWTPSVPGTKRIMQM-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl-[3-(quinolin-2-ylamino)propyl]amino]ethanol
CID 21424676
2-[3-(quinolin-2-ylamino)propoxy]ethanol
CID 103990474
N-dodecylquinolin-2-amine
CID 160510159
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
CID 43599624
N-(2-phenylethyl)quinolin-2-amine
CID 29300407
2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 125463812
1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391
methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060
N-quinolin-2-yl-N',N'-bis(thiophen-3-ylmethyl)propane-1,3-diamine
CID 10385916
2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol
CID 104858613

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-2-ylamino)propan-1-ol?
The IUPAC name of 3-(quinolin-2-ylamino)propan-1-ol (CID 581988) is 3-(quinolin-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(quinolin-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(quinolin-2-ylamino)propan-1-ol is OCCCNc1ccc2ccccc2n1.
What is the InChIKey of 3-(quinolin-2-ylamino)propan-1-ol?
The InChIKey is WTPSVPGTKRIMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-9-3-8-13-12-7-6-10-4-1-2-5-11(10)14-12/h1-2,4-7,15H,3,8-9H2,(H,13,14).
What are the key properties of 3-(quinolin-2-ylamino)propan-1-ol?
3-(quinolin-2-ylamino)propan-1-ol has a molecular weight of 202.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-2-ylamino)propan-1-ol is sourced from PubChem (CID 581988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).