N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

C18H25N3O3 — CID 78323048

IUPACN-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C18H25N3O3/c1-4-21(5-2)10-6-9-19-18(23)15-12-20-16-11-13(24-3)7-8-14(16)17(15)22/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyCYGILFVTNGOEJA-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.00
Rot. Bonds8

About N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 78323048) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID78323048
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C18H25N3O3/c1-4-21(5-2)10-6-9-19-18(23)15-12-20-16-11-13(24-3)7-8-14(16)17(15)22/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyCYGILFVTNGOEJA-UHFFFAOYSA-N
XLogP2.00
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.00
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-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
N-[2-(1H-imidazol-5-yl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 122714941
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
7-methoxy-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 51684426
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide
CID 124506094
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 78323048) is N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is CCN(CC)CCCNC(=O)c1c[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is CYGILFVTNGOEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-21(5-2)10-6-9-19-18(23)15-12-20-16-11-13(24-3)7-8-14(16)17(15)22/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 78323048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).