N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide

C30H44N4O2 — CID 46208464

IUPACN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCN1CCN(C2(CN(Cc3cc4ccccc4n(C)c3=O)C(=O)C3CCCCC3)CCCCC2)CC1
InChIInChI=1S/C30H44N4O2/c1-31-17-19-34(20-18-31)30(15-9-4-10-16-30)23-33(29(36)24-11-5-3-6-12-24)22-26-21-25-13-7-8-14-27(25)32(2)28(26)35/h7-8,13-14,21,24H,3-6,9-12,15-20,22-23H2,1-2H3
InChIKeyPJVMTTZJMVQBDL-UHFFFAOYSA-N
MW492.71 g/mol
LogP4.40
Rot. Bonds6

About N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide

N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide (PubChem CID 46208464) has the molecular formula C30H44N4O2 and a molecular weight of 492.71 g/mol. Its IUPAC name is N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide
PubChem CID46208464
Molecular FormulaC30H44N4O2
Molecular Weight492.71 g/mol
Exact Mass492.35
IUPAC NameN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCN1CCN(C2(CN(Cc3cc4ccccc4n(C)c3=O)C(=O)C3CCCCC3)CCCCC2)CC1
InChIInChI=1S/C30H44N4O2/c1-31-17-19-34(20-18-31)30(15-9-4-10-16-30)23-33(29(36)24-11-5-3-6-12-24)22-26-21-25-13-7-8-14-27(25)32(2)28(26)35/h7-8,13-14,21,24H,3-6,9-12,15-20,22-23H2,1-2H3
InChIKeyPJVMTTZJMVQBDL-UHFFFAOYSA-N
XLogP4.40
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide (CID 46208464) is N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide is CN1CCN(C2(CN(Cc3cc4ccccc4n(C)c3=O)C(=O)C3CCCCC3)CCCCC2)CC1.
What is the InChIKey of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide?
The InChIKey is PJVMTTZJMVQBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O2/c1-31-17-19-34(20-18-31)30(15-9-4-10-16-30)23-33(29(36)24-11-5-3-6-12-24)22-26-21-25-13-7-8-14-27(25)32(2)28(26)35/h7-8,13-14,21,24H,3-6,9-12,15-20,22-23H2,1-2H3.
What are the key properties of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide?
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide has a molecular weight of 492.71 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 46208464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).