3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol

C16H23N3O — CID 118754930

IUPAC3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol
SMILESCc1ccc2cc(CNCCCO)c(N(C)C)nc2c1
InChIInChI=1S/C16H23N3O/c1-12-5-6-13-10-14(11-17-7-4-8-20)16(19(2)3)18-15(13)9-12/h5-6,9-10,17,20H,4,7-8,11H2,1-3H3
InChIKeyRKPVNRMFJMBUPO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.08
Rot. Bonds6

About 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol

3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol (PubChem CID 118754930) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol
PubChem CID118754930
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol
SMILESCc1ccc2cc(CNCCCO)c(N(C)C)nc2c1
InChIInChI=1S/C16H23N3O/c1-12-5-6-13-10-14(11-17-7-4-8-20)16(19(2)3)18-15(13)9-12/h5-6,9-10,17,20H,4,7-8,11H2,1-3H3
InChIKeyRKPVNRMFJMBUPO-UHFFFAOYSA-N
XLogP2.08
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.08
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

3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]propanamide
CID 26324760
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine
CID 53274322
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
CID 59549336
1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol
CID 130295621
3-[3-(dimethylamino)propyl]-N,N-dimethylquinolin-2-amine
CID 170866839
3-[(4-chloro-2-methylphenyl)methylamino]propan-1-ol
CID 104853816
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 47031660
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 29152256

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol?
The IUPAC name of 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol (CID 118754930) is 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol is Cc1ccc2cc(CNCCCO)c(N(C)C)nc2c1.
What is the InChIKey of 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol?
The InChIKey is RKPVNRMFJMBUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-5-6-13-10-14(11-17-7-4-8-20)16(19(2)3)18-15(13)9-12/h5-6,9-10,17,20H,4,7-8,11H2,1-3H3.
What are the key properties of 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol?
3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol is sourced from PubChem (CID 118754930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).