N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide

C25H35N3O2 — CID 75148825

IUPACN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide
SMILESCC(C)N1CCC(N(Cc2cc3ccccc3n(C)c2=O)C(=O)C2CCCCC2)C1
InChIInChI=1S/C25H35N3O2/c1-18(2)27-14-13-22(17-27)28(25(30)19-9-5-4-6-10-19)16-21-15-20-11-7-8-12-23(20)26(3)24(21)29/h7-8,11-12,15,18-19,22H,4-6,9-10,13-14,16-17H2,1-3H3
InChIKeyHFPOVHQFJPBAKU-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.93
Rot. Bonds5

About N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide

N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide (PubChem CID 75148825) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide
PubChem CID75148825
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide
SMILESCC(C)N1CCC(N(Cc2cc3ccccc3n(C)c2=O)C(=O)C2CCCCC2)C1
InChIInChI=1S/C25H35N3O2/c1-18(2)27-14-13-22(17-27)28(25(30)19-9-5-4-6-10-19)16-21-15-20-11-7-8-12-23(20)26(3)24(21)29/h7-8,11-12,15,18-19,22H,4-6,9-10,13-14,16-17H2,1-3H3
InChIKeyHFPOVHQFJPBAKU-UHFFFAOYSA-N
XLogP3.93
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide (CID 75148825) is N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide is CC(C)N1CCC(N(Cc2cc3ccccc3n(C)c2=O)C(=O)C2CCCCC2)C1.
What is the InChIKey of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide?
The InChIKey is HFPOVHQFJPBAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-18(2)27-14-13-22(17-27)28(25(30)19-9-5-4-6-10-19)16-21-15-20-11-7-8-12-23(20)26(3)24(21)29/h7-8,11-12,15,18-19,22H,4-6,9-10,13-14,16-17H2,1-3H3.
What are the key properties of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide?
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide has a molecular weight of 409.57 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 75148825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).