8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one

C29H31N5O2 — CID 59827335

IUPAC8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one
SMILESC=C1C(=O)C=C(N2CCC(N3CCN(c4cc(OC)cc5cccnc45)CC3)CC2)c2ncccc21
InChIInChI=1S/C29H31N5O2/c1-20-24-6-4-10-31-29(24)26(19-27(20)35)33-11-7-22(8-12-33)32-13-15-34(16-14-32)25-18-23(36-2)17-21-5-3-9-30-28(21)25/h3-6,9-10,17-19,22H,1,7-8,11-16H2,2H3
InChIKeyVTVCUKKMKWTLRU-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.86
Rot. Bonds4

About 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one

8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one (PubChem CID 59827335) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one.

Molecular Properties

Compound Name8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one
PubChem CID59827335
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC Name8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one
SMILESC=C1C(=O)C=C(N2CCC(N3CCN(c4cc(OC)cc5cccnc45)CC3)CC2)c2ncccc21
InChIInChI=1S/C29H31N5O2/c1-20-24-6-4-10-31-29(24)26(19-27(20)35)33-11-7-22(8-12-33)32-13-15-34(16-14-32)25-18-23(36-2)17-21-5-3-9-30-28(21)25/h3-6,9-10,17-19,22H,1,7-8,11-16H2,2H3
InChIKeyVTVCUKKMKWTLRU-UHFFFAOYSA-N
XLogP3.86
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one?
The IUPAC name of 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one (CID 59827335) is 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one.
What is the SMILES notation for 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one?
The canonical SMILES for 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one is C=C1C(=O)C=C(N2CCC(N3CCN(c4cc(OC)cc5cccnc45)CC3)CC2)c2ncccc21.
What is the InChIKey of 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one?
The InChIKey is VTVCUKKMKWTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-20-24-6-4-10-31-29(24)26(19-27(20)35)33-11-7-22(8-12-33)32-13-15-34(16-14-32)25-18-23(36-2)17-21-5-3-9-30-28(21)25/h3-6,9-10,17-19,22H,1,7-8,11-16H2,2H3.
What are the key properties of 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one?
8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one has a molecular weight of 481.60 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]-5-methylidenequinolin-6-one is sourced from PubChem (CID 59827335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).