1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol

C13H16N2O2 — CID 107315662

IUPAC1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol
SMILESCC(O)(CN)COc1ccc2cccnc2c1
InChIInChI=1S/C13H16N2O2/c1-13(16,8-14)9-17-11-5-4-10-3-2-6-15-12(10)7-11/h2-7,16H,8-9,14H2,1H3
InChIKeyPVSDHBVMKCTUBU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.32
Rot. Bonds4

About 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol

1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol (PubChem CID 107315662) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol
PubChem CID107315662
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol
SMILESCC(O)(CN)COc1ccc2cccnc2c1
InChIInChI=1S/C13H16N2O2/c1-13(16,8-14)9-17-11-5-4-10-3-2-6-15-12(10)7-11/h2-7,16H,8-9,14H2,1H3
InChIKeyPVSDHBVMKCTUBU-UHFFFAOYSA-N
XLogP1.32
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-methyl-6-quinolin-7-yloxyhexan-2-ol
CID 107315657
methyl 2-methyl-2-(methylamino)-3-quinolin-7-yloxypropanoate
CID 107314668
2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid
CID 107314695
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
(2-quinolin-7-yloxypyrimidin-5-yl)methanamine
CID 107314265
2-quinolin-7-yloxyacetohydrazide
CID 107315402
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
2-(ethylamino)-2-methyl-4-quinolin-7-yloxybutanamide
CID 107314784
[2-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107314996
7-pyridin-4-yloxyquinoline
CID 141187990
7-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 107313588
[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107313344

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol (CID 107315662) is 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol is CC(O)(CN)COc1ccc2cccnc2c1.
What is the InChIKey of 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol?
The InChIKey is PVSDHBVMKCTUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(16,8-14)9-17-11-5-4-10-3-2-6-15-12(10)7-11/h2-7,16H,8-9,14H2,1H3.
What are the key properties of 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol?
1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol has a molecular weight of 232.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol is sourced from PubChem (CID 107315662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).