N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide

C19H17Cl2N3O3 — CID 90053899

IUPACN-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide
SMILESO=C1CCc2cc(OC3CN(C(=O)Nc4ccc(Cl)c(Cl)c4)C3)ccc2N1
InChIInChI=1S/C19H17Cl2N3O3/c20-15-4-2-12(8-16(15)21)22-19(26)24-9-14(10-24)27-13-3-5-17-11(7-13)1-6-18(25)23-17/h2-5,7-8,14H,1,6,9-10H2,(H,22,26)(H,23,25)
InChIKeyBHZNREJTXMAZHO-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.17
Rot. Bonds3

About N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide

N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide (PubChem CID 90053899) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide
PubChem CID90053899
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC NameN-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide
SMILESO=C1CCc2cc(OC3CN(C(=O)Nc4ccc(Cl)c(Cl)c4)C3)ccc2N1
InChIInChI=1S/C19H17Cl2N3O3/c20-15-4-2-12(8-16(15)21)22-19(26)24-9-14(10-24)27-13-3-5-17-11(7-13)1-6-18(25)23-17/h2-5,7-8,14H,1,6,9-10H2,(H,22,26)(H,23,25)
InChIKeyBHZNREJTXMAZHO-UHFFFAOYSA-N
XLogP4.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide with MolForge

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Related Compounds

(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97079605
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 90054127
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24532097
N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640806
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(4S)-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124851582
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide (CID 90053899) is N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide is O=C1CCc2cc(OC3CN(C(=O)Nc4ccc(Cl)c(Cl)c4)C3)ccc2N1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide?
The InChIKey is BHZNREJTXMAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c20-15-4-2-12(8-16(15)21)22-19(26)24-9-14(10-24)27-13-3-5-17-11(7-13)1-6-18(25)23-17/h2-5,7-8,14H,1,6,9-10H2,(H,22,26)(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide?
N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide has a molecular weight of 406.27 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide is sourced from PubChem (CID 90053899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).