N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide

C18H17N3O2 — CID 13151201

IUPACN-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)13-9-7-12(8-10-13)20-18(23)15-11-19-16-6-4-3-5-14(16)17(15)22/h3-11H,1-2H3,(H,19,22)(H,20,23)
InChIKeyFLVVHEBBZGBLOJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide

N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 13151201) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID13151201
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)13-9-7-12(8-10-13)20-18(23)15-11-19-16-6-4-3-5-14(16)17(15)22/h3-11H,1-2H3,(H,19,22)(H,20,23)
InChIKeyFLVVHEBBZGBLOJ-UHFFFAOYSA-N
XLogP2.85
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232
N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475032
6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 113206465
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511783
N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66674873
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide (CID 13151201) is N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide is CN(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FLVVHEBBZGBLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(2)13-9-7-12(8-10-13)20-18(23)15-11-19-16-6-4-3-5-14(16)17(15)22/h3-11H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 13151201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).