methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate

C19H21N3O3S — CID 125167780

IUPACmethyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCCc2cc(NC(=O)N3CC[C@@H]3c3cccs3)ccc21
InChIInChI=1S/C19H21N3O3S/c1-25-19(24)22-9-2-4-13-12-14(6-7-15(13)22)20-18(23)21-10-8-16(21)17-5-3-11-26-17/h3,5-7,11-12,16H,2,4,8-10H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyNEOFAOISGGJVDO-MRXNPFEDSA-N
MW371.46 g/mol
LogP4.25
Rot. Bonds2

About methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate

methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 125167780) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID125167780
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Namemethyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCCc2cc(NC(=O)N3CC[C@@H]3c3cccs3)ccc21
InChIInChI=1S/C19H21N3O3S/c1-25-19(24)22-9-2-4-13-12-14(6-7-15(13)22)20-18(23)21-10-8-16(21)17-5-3-11-26-17/h3,5-7,11-12,16H,2,4,8-10H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyNEOFAOISGGJVDO-MRXNPFEDSA-N
XLogP4.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
(2R)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 52766431
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
N-[3-(2-methoxypropanoylamino)phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 48643647
(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 95238632
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550941
(2R)-N-(6-methoxy-3-pyridinyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94028395
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895936
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 25333430
(2S)-N-(4-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503073
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate (CID 125167780) is methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate is COC(=O)N1CCCc2cc(NC(=O)N3CC[C@@H]3c3cccs3)ccc21.
What is the InChIKey of methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is NEOFAOISGGJVDO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-25-19(24)22-9-2-4-13-12-14(6-7-15(13)22)20-18(23)21-10-8-16(21)17-5-3-11-26-17/h3,5-7,11-12,16H,2,4,8-10H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 125167780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).