3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide

C19H25N3O2 — CID 75387845

IUPAC3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide
SMILESCC1CCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC(C)C1
InChIInChI=1S/C19H25N3O2/c1-13-7-8-22(12-14(2)9-13)19(24)20-11-15-10-18(23)21-17-6-4-3-5-16(15)17/h3-6,10,13-14H,7-9,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyZLRBAXCXAROUJW-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.11
Rot. Bonds2

About 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide

3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide (PubChem CID 75387845) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide
PubChem CID75387845
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide
SMILESCC1CCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC(C)C1
InChIInChI=1S/C19H25N3O2/c1-13-7-8-22(12-14(2)9-13)19(24)20-11-15-10-18(23)21-17-6-4-3-5-16(15)17/h3-6,10,13-14H,7-9,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyZLRBAXCXAROUJW-UHFFFAOYSA-N
XLogP3.11
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide (CID 75387845) is 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide is CC1CCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide?
The InChIKey is ZLRBAXCXAROUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-7-8-22(12-14(2)9-13)19(24)20-11-15-10-18(23)21-17-6-4-3-5-16(15)17/h3-6,10,13-14H,7-9,11-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide?
3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 75387845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).