methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate

C21H23N3O3 — CID 23140713

IUPACmethyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CC(N3CCCc4ccccc43)C2)c1
InChIInChI=1S/C21H23N3O3/c1-27-20(25)16-7-4-9-17(12-16)22-21(26)23-13-18(14-23)24-11-5-8-15-6-2-3-10-19(15)24/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,22,26)
InChIKeyOHHZAXLPDMKBKC-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.14
Rot. Bonds3

About methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate

methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate (PubChem CID 23140713) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate
PubChem CID23140713
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namemethyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CC(N3CCCc4ccccc43)C2)c1
InChIInChI=1S/C21H23N3O3/c1-27-20(25)16-7-4-9-17(12-16)22-21(26)23-13-18(14-23)24-11-5-8-15-6-2-3-10-19(15)24/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,22,26)
InChIKeyOHHZAXLPDMKBKC-UHFFFAOYSA-N
XLogP3.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139882
N-(3-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140704
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140123
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140532
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate
CID 23140589
methyl 3-[[3-(dipropylamino)azetidine-1-carbonyl]amino]benzoate
CID 23140433
methyl 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoate
CID 4997667
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate (CID 23140713) is methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)N2CC(N3CCCc4ccccc43)C2)c1.
What is the InChIKey of methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate?
The InChIKey is OHHZAXLPDMKBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-20(25)16-7-4-9-17(12-16)22-21(26)23-13-18(14-23)24-11-5-8-15-6-2-3-10-19(15)24/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,22,26).
What are the key properties of methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate?
methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate has a molecular weight of 365.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 23140713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).