5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide

C18H25N3O2 — CID 94947273

IUPAC5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCCCCN(C)C(=O)c1cn(C(C)C)c2cccc(N)c2c1=O
InChIInChI=1S/C18H25N3O2/c1-5-6-10-20(4)18(23)13-11-21(12(2)3)15-9-7-8-14(19)16(15)17(13)22/h7-9,11-12H,5-6,10,19H2,1-4H3
InChIKeyLENLOXAJDYNJOB-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.04
Rot. Bonds5

About 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide

5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 94947273) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID94947273
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCCCCN(C)C(=O)c1cn(C(C)C)c2cccc(N)c2c1=O
InChIInChI=1S/C18H25N3O2/c1-5-6-10-20(4)18(23)13-11-21(12(2)3)15-9-7-8-14(19)16(15)17(13)22/h7-9,11-12H,5-6,10,19H2,1-4H3
InChIKeyLENLOXAJDYNJOB-UHFFFAOYSA-N
XLogP3.04
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 82212516
5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
CID 94947311
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
3-amino-N-butyl-2-ethoxy-N-methylbenzamide
CID 113386345
4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide
CID 166081815
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
3-(ethylsulfonylmethyl)-1-propan-2-ylindol-4-amine
CID 117171814
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 94947273) is 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide is CCCCN(C)C(=O)c1cn(C(C)C)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is LENLOXAJDYNJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-6-10-20(4)18(23)13-11-21(12(2)3)15-9-7-8-14(19)16(15)17(13)22/h7-9,11-12H,5-6,10,19H2,1-4H3.
What are the key properties of 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 94947273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).