2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide

C14H21N3O2 — CID 106170985

IUPAC2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
SMILESCN1CCCc2cc(CNCC(O)C(N)=O)ccc21
InChIInChI=1S/C14H21N3O2/c1-17-6-2-3-11-7-10(4-5-12(11)17)8-16-9-13(18)14(15)19/h4-5,7,13,16,18H,2-3,6,8-9H2,1H3,(H2,15,19)
InChIKeyPIDIEGJIHMBCBO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.00
Rot. Bonds5

About 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide

2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide (PubChem CID 106170985) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
PubChem CID106170985
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
SMILESCN1CCCc2cc(CNCC(O)C(N)=O)ccc21
InChIInChI=1S/C14H21N3O2/c1-17-6-2-3-11-7-10(4-5-12(11)17)8-16-9-13(18)14(15)19/h4-5,7,13,16,18H,2-3,6,8-9H2,1H3,(H2,15,19)
InChIKeyPIDIEGJIHMBCBO-UHFFFAOYSA-N
XLogP0.00
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
2,2-dimethoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 62096866
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
CID 106114459
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide
CID 112672962
3-methoxy-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propan-1-amine
CID 62097585
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
CID 115756799
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
CID 62094966
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide (CID 106170985) is 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide is CN1CCCc2cc(CNCC(O)C(N)=O)ccc21.
What is the InChIKey of 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide?
The InChIKey is PIDIEGJIHMBCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-6-2-3-11-7-10(4-5-12(11)17)8-16-9-13(18)14(15)19/h4-5,7,13,16,18H,2-3,6,8-9H2,1H3,(H2,15,19).
What are the key properties of 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide?
2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide is sourced from PubChem (CID 106170985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).