4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine

C19H21N3O — CID 162715623

IUPAC4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine
SMILESCOC[C@@H](Cc1ccccc1)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C19H21N3O/c1-23-13-15(11-14-7-3-2-4-8-14)22-19-16-9-5-6-10-18(16)21-12-17(19)20/h2-10,12,15H,11,13,20H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyQEUKGSCKSZXOTL-OAHLLOKOSA-N
MW307.40 g/mol
LogP3.49
Rot. Bonds6

About 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine

4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine (PubChem CID 162715623) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine
PubChem CID162715623
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine
SMILESCOC[C@@H](Cc1ccccc1)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C19H21N3O/c1-23-13-15(11-14-7-3-2-4-8-14)22-19-16-9-5-6-10-18(16)21-12-17(19)20/h2-10,12,15H,11,13,20H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyQEUKGSCKSZXOTL-OAHLLOKOSA-N
XLogP3.49
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2R)-1-phenylpropan-2-yl]quinoline-3,4-diamine
CID 155388769
[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid
CID 66620004
N-[(2R)-1-ethoxy-3-phenylpropan-2-yl]-3-nitroquinolin-4-amine
CID 155388594
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine
CID 156777884
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine
CID 106217212
4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine
CID 86624120
[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid
CID 69179366
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine (CID 162715623) is 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine is COC[C@@H](Cc1ccccc1)Nc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine?
The InChIKey is QEUKGSCKSZXOTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O/c1-23-13-15(11-14-7-3-2-4-8-14)22-19-16-9-5-6-10-18(16)21-12-17(19)20/h2-10,12,15H,11,13,20H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine?
4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine has a molecular weight of 307.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine is sourced from PubChem (CID 162715623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).