N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide

C20H26N2O2 — CID 664599

IUPACN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1
InChIInChI=1S/C20H26N2O2/c1-14(2)22(20(24)15-8-4-3-5-9-15)13-17-12-16-10-6-7-11-18(16)21-19(17)23/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3,(H,21,23)
InChIKeyXHPZESBNJWINIK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.85
Rot. Bonds4

About N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide

N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide (PubChem CID 664599) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide
PubChem CID664599
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1
InChIInChI=1S/C20H26N2O2/c1-14(2)22(20(24)15-8-4-3-5-9-15)13-17-12-16-10-6-7-11-18(16)21-19(17)23/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3,(H,21,23)
InChIKeyXHPZESBNJWINIK-UHFFFAOYSA-N
XLogP3.85
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide (CID 664599) is N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide is CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1.
What is the InChIKey of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide?
The InChIKey is XHPZESBNJWINIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)22(20(24)15-8-4-3-5-9-15)13-17-12-16-10-6-7-11-18(16)21-19(17)23/h6-7,10-12,14-15H,3-5,8-9,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide?
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 664599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).