1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride

C20H21ClN4O — CID 162715621

IUPAC1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
SMILESCOC[C@@H](Cc1ccccc1)n1cnc2c(N)nc3ccccc3c21.Cl
InChIInChI=1S/C20H20N4O.ClH/c1-25-12-15(11-14-7-3-2-4-8-14)24-13-22-18-19(24)16-9-5-6-10-17(16)23-20(18)21;/h2-10,13,15H,11-12H2,1H3,(H2,21,23);1H/t15-;/m1./s1
InChIKeyUDAJGJWTLKOJOA-XFULWGLBSA-N
MW368.87 g/mol
LogP4.02
Rot. Bonds5

About 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride

1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride (PubChem CID 162715621) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
PubChem CID162715621
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
SMILESCOC[C@@H](Cc1ccccc1)n1cnc2c(N)nc3ccccc3c21.Cl
InChIInChI=1S/C20H20N4O.ClH/c1-25-12-15(11-14-7-3-2-4-8-14)24-13-22-18-19(24)16-9-5-6-10-17(16)23-20(18)21;/h2-10,13,15H,11-12H2,1H3,(H2,21,23);1H/t15-;/m1./s1
InChIKeyUDAJGJWTLKOJOA-XFULWGLBSA-N
XLogP4.02
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride?
The IUPAC name of 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride (CID 162715621) is 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride?
The canonical SMILES for 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride is COC[C@@H](Cc1ccccc1)n1cnc2c(N)nc3ccccc3c21.Cl.
What is the InChIKey of 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride?
The InChIKey is UDAJGJWTLKOJOA-XFULWGLBSA-N. The full InChI is InChI=1S/C20H20N4O.ClH/c1-25-12-15(11-14-7-3-2-4-8-14)24-13-22-18-19(24)16-9-5-6-10-17(16)23-20(18)21;/h2-10,13,15H,11-12H2,1H3,(H2,21,23);1H/t15-;/m1./s1.
What are the key properties of 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride?
1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride is sourced from PubChem (CID 162715621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).