2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

C24H27Cl2N5O2 — CID 71456399

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCOc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1.Cl
InChIInChI=1S/C24H26ClN5O2.ClH/c1-28-20-12-17(32-2)9-10-18(20)21-22(23(28)31)30(13-15-6-3-4-8-19(15)25)24(27-21)29-11-5-7-16(26)14-29;/h3-4,6,8-10,12,16H,5,7,11,13-14,26H2,1-2H3;1H/t16-;/m1./s1
InChIKeyUKCWGGYFOOQSCS-PKLMIRHRSA-N
MW488.42 g/mol
LogP3.95
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 71456399) has the molecular formula C24H27Cl2N5O2 and a molecular weight of 488.42 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID71456399
Molecular FormulaC24H27Cl2N5O2
Molecular Weight488.42 g/mol
Exact Mass487.15
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCOc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1.Cl
InChIInChI=1S/C24H26ClN5O2.ClH/c1-28-20-12-17(32-2)9-10-18(20)21-22(23(28)31)30(13-15-6-3-4-8-19(15)25)24(27-21)29-11-5-7-16(26)14-29;/h3-4,6,8-10,12,16H,5,7,11,13-14,26H2,1-2H3;1H/t16-;/m1./s1
InChIKeyUKCWGGYFOOQSCS-PKLMIRHRSA-N
XLogP3.95
TPSA78.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 71456399) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is COc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1.Cl.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is UKCWGGYFOOQSCS-PKLMIRHRSA-N. The full InChI is InChI=1S/C24H26ClN5O2.ClH/c1-28-20-12-17(32-2)9-10-18(20)21-22(23(28)31)30(13-15-6-3-4-8-19(15)25)24(27-21)29-11-5-7-16(26)14-29;/h3-4,6,8-10,12,16H,5,7,11,13-14,26H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 488.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 71456399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).