N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide

C21H21F2N3O2 — CID 171446140

IUPACN-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
SMILESCN(C)CCCNC(=O)c1c(F)cc(-c2cc(O)c3ncccc3c2)cc1F
InChIInChI=1S/C21H21F2N3O2/c1-26(2)8-4-7-25-21(28)19-16(22)10-15(11-17(19)23)14-9-13-5-3-6-24-20(13)18(27)12-14/h3,5-6,9-12,27H,4,7-8H2,1-2H3,(H,25,28)
InChIKeySXQHHLLQSPJFSH-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.57
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide

N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide (PubChem CID 171446140) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
PubChem CID171446140
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC NameN-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
SMILESCN(C)CCCNC(=O)c1c(F)cc(-c2cc(O)c3ncccc3c2)cc1F
InChIInChI=1S/C21H21F2N3O2/c1-26(2)8-4-7-25-21(28)19-16(22)10-15(11-17(19)23)14-9-13-5-3-6-24-20(13)18(27)12-14/h3,5-6,9-12,27H,4,7-8H2,1-2H3,(H,25,28)
InChIKeySXQHHLLQSPJFSH-UHFFFAOYSA-N
XLogP3.57
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.57
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-[3-(dimethylamino)propyl]-5-(8-hydroxyquinolin-6-yl)thiophene-2-carboxamide
CID 171446127
3-bromo-N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446114
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 171446242
4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide
CID 176554954
[3-[3-(dimethylamino)propyl]-1,3-diazinan-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone
CID 70679265
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
N-[3-(dimethylamino)propyl]-5-[8-[(4-methoxyphenyl)methoxy]quinolin-6-yl]thiophene-3-carboxamide
CID 171446078
5-(dimethylamino)-1-[4-(8-hydroxyquinolin-6-yl)phenyl]pentan-1-one;N-[3-(4-methylpiperazin-1-yl)propyl]-3-(8-methylquinolin-6-yl)benzamide;3-(8-methylquinolin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 161233432
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109084078
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide (CID 171446140) is N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide is CN(C)CCCNC(=O)c1c(F)cc(-c2cc(O)c3ncccc3c2)cc1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide?
The InChIKey is SXQHHLLQSPJFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-26(2)8-4-7-25-21(28)19-16(22)10-15(11-17(19)23)14-9-13-5-3-6-24-20(13)18(27)12-14/h3,5-6,9-12,27H,4,7-8H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide?
N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide has a molecular weight of 385.41 g/mol, XLogP of 3.57, 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]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide is sourced from PubChem (CID 171446140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).