7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

C23H28N4O2 — CID 53002491

IUPAC7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCOc1ccc2c(N3CCC(C(=O)N4CCC(C)CC4)CC3)c(C#N)cnc2c1
InChIInChI=1S/C23H28N4O2/c1-16-5-9-27(10-6-16)23(28)17-7-11-26(12-8-17)22-18(14-24)15-25-21-13-19(29-2)3-4-20(21)22/h3-4,13,15-17H,5-12H2,1-2H3
InChIKeyMBWNYLLLMPPGAO-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.59
Rot. Bonds3

About 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 53002491) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID53002491
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCOc1ccc2c(N3CCC(C(=O)N4CCC(C)CC4)CC3)c(C#N)cnc2c1
InChIInChI=1S/C23H28N4O2/c1-16-5-9-27(10-6-16)23(28)17-7-11-26(12-8-17)22-18(14-24)15-25-21-13-19(29-2)3-4-20(21)22/h3-4,13,15-17H,5-12H2,1-2H3
InChIKeyMBWNYLLLMPPGAO-UHFFFAOYSA-N
XLogP3.59
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002509
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
tert-butyl 1-(3-cyano-7-methoxyquinolin-4-yl)-3-methylpiperidine-4-carboxylate
CID 142290702
1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 53113699
6-methyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002630
7-methoxy-4-(3-propylazetidin-1-yl)quinoline-3-carbonitrile
CID 163275126
methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484
4-acetyl-2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]benzonitrile
CID 133442496
1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53002466
[1-(3-cyano-6-methoxyquinolin-4-yl)piperidin-4-yl]methyl dihydrogen phosphite
CID 154672957
1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53002478

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (CID 53002491) is 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is COc1ccc2c(N3CCC(C(=O)N4CCC(C)CC4)CC3)c(C#N)cnc2c1.
What is the InChIKey of 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is MBWNYLLLMPPGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-5-9-27(10-6-16)23(28)17-7-11-26(12-8-17)22-18(14-24)15-25-21-13-19(29-2)3-4-20(21)22/h3-4,13,15-17H,5-12H2,1-2H3.
What are the key properties of 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 392.50 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 53002491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).