N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide

C19H20ClN3O — CID 23140123

IUPACN-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(N2CCCc3ccccc32)C1
InChIInChI=1S/C19H20ClN3O/c20-15-7-9-16(10-8-15)21-19(24)22-12-17(13-22)23-11-3-5-14-4-1-2-6-18(14)23/h1-2,4,6-10,17H,3,5,11-13H2,(H,21,24)
InChIKeyUEPFUHYKGMMIEU-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.01
Rot. Bonds2

About N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide

N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide (PubChem CID 23140123) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
PubChem CID23140123
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(N2CCCc3ccccc32)C1
InChIInChI=1S/C19H20ClN3O/c20-15-7-9-16(10-8-15)21-19(24)22-12-17(13-22)23-11-3-5-14-4-1-2-6-18(14)23/h1-2,4,6-10,17H,3,5,11-13H2,(H,21,24)
InChIKeyUEPFUHYKGMMIEU-UHFFFAOYSA-N
XLogP4.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140704
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140532
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139882
methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate
CID 23140713
3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140046
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
CID 66196929
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
N-(4-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide
CID 110399826

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide (CID 23140123) is N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC(N2CCCc3ccccc32)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide?
The InChIKey is UEPFUHYKGMMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-15-7-9-16(10-8-15)21-19(24)22-12-17(13-22)23-11-3-5-14-4-1-2-6-18(14)23/h1-2,4,6-10,17H,3,5,11-13H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide?
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 23140123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).