N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide

C16H21N3O3 — CID 91641164

IUPACN-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)NCCCN(C)C)c[nH]c12
InChIInChI=1S/C16H21N3O3/c1-19(2)9-5-8-17-16(21)12-10-18-14-11(15(12)20)6-4-7-13(14)22-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyUCSNMGJPQNKVEK-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.22
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 91641164) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID91641164
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)NCCCN(C)C)c[nH]c12
InChIInChI=1S/C16H21N3O3/c1-19(2)9-5-8-17-16(21)12-10-18-14-11(15(12)20)6-4-7-13(14)22-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyUCSNMGJPQNKVEK-UHFFFAOYSA-N
XLogP1.22
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide
CID 91640381
8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 43831833
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43813806
8-methoxy-N-(6-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831811
N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3217749
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
propan-2-yl 4-[(8-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 43831906
3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
CID 10016783
N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide
CID 110769641
1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96675265
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 91641164) is N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide is COc1cccc2c(=O)c(C(=O)NCCCN(C)C)c[nH]c12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is UCSNMGJPQNKVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-19(2)9-5-8-17-16(21)12-10-18-14-11(15(12)20)6-4-7-13(14)22-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 91641164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).