propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate

C19H24ClN3O4S — CID 123689277

IUPACpropan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)C1CCSC1NC(=O)C1CCNc2cc(Cl)ccc21
InChIInChI=1S/C19H24ClN3O4S/c1-10(2)27-19(26)23-17(25)14-6-8-28-18(14)22-16(24)13-5-7-21-15-9-11(20)3-4-12(13)15/h3-4,9-10,13-14,18,21H,5-8H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyWWDLHSGWLGOMIP-UHFFFAOYSA-N
MW425.94 g/mol
LogP3.10
Rot. Bonds4

About propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate

propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate (PubChem CID 123689277) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate
PubChem CID123689277
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Namepropan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)C1CCSC1NC(=O)C1CCNc2cc(Cl)ccc21
InChIInChI=1S/C19H24ClN3O4S/c1-10(2)27-19(26)23-17(25)14-6-8-28-18(14)22-16(24)13-5-7-21-15-9-11(20)3-4-12(13)15/h3-4,9-10,13-14,18,21H,5-8H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyWWDLHSGWLGOMIP-UHFFFAOYSA-N
XLogP3.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate with MolForge

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Related Compounds

propan-2-yl N-[2-[(7-chloro-1-cycloheptyl-3,4-dihydro-2H-quinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate
CID 123315517
propan-2-yl N-[2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123376492
methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 83756205
propan-2-yl N-[2-(1,2,3a,4,5,6,7,7a-octahydro-[1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiolane-3-carbonyl]carbamate
CID 123922052
ethyl N-[2-[[2-(difluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbonyl]amino]thiolane-3-carbonyl]carbamate
CID 123976454
propan-2-yl N-[2-(1,3-dihydro-2,1,3-benzoxadiazole-5-carbonylamino)-5-[2-[[2-(1,3-dihydro-2,1,3-benzoxadiazole-5-carbonylamino)thiolane-3-carbonyl]carbamoyloxy]ethyl]thiolane-3-carbonyl]carbamate
CID 123521591
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 83754277
(2S,4S)-7-chloro-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 15168466
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
ethyl N-[2-[3-(2,3-dihydro-1,3-benzothiazol-2-yl)prop-2-enoylamino]thiolane-3-carbonyl]carbamate
CID 123986344
ethyl N-[2-[(5-methyl-2,3-dihydro-1-benzothiophene-2-carbonyl)amino]thiolane-3-carbonyl]carbamate
CID 123238565

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate?
The IUPAC name of propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate (CID 123689277) is propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)C1CCSC1NC(=O)C1CCNc2cc(Cl)ccc21.
What is the InChIKey of propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate?
The InChIKey is WWDLHSGWLGOMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-10(2)27-19(26)23-17(25)14-6-8-28-18(14)22-16(24)13-5-7-21-15-9-11(20)3-4-12(13)15/h3-4,9-10,13-14,18,21H,5-8H2,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate?
propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate has a molecular weight of 425.94 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[(7-chloro-1,2,3,4-tetrahydroquinoline-4-carbonyl)amino]thiolane-3-carbonyl]carbamate is sourced from PubChem (CID 123689277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).