methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate

C18H19N3O3S — CID 95132831

IUPACmethyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1nc2c(s1)CCCC2
InChIInChI=1S/C18H19N3O3S/c1-24-18(23)19-10-6-7-11-12(9-16(22)20-14(11)8-10)17-21-13-4-2-3-5-15(13)25-17/h6-8,12H,2-5,9H2,1H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyYXOJFRRTFGDXKJ-LBPRGKRZSA-N
MW357.44 g/mol
LogP3.67
Rot. Bonds2

About methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate

methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate (PubChem CID 95132831) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate
PubChem CID95132831
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Namemethyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1nc2c(s1)CCCC2
InChIInChI=1S/C18H19N3O3S/c1-24-18(23)19-10-6-7-11-12(9-16(22)20-14(11)8-10)17-21-13-4-2-3-5-15(13)25-17/h6-8,12H,2-5,9H2,1H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyYXOJFRRTFGDXKJ-LBPRGKRZSA-N
XLogP3.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 170512777
methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 169421884
6-methoxy-2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70778095
N-[4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
CID 171388372
ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95123061
methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate
CID 140812828
2-methoxy-N-[(4S)-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 95127704
ethyl N-[(4R)-4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95128759
7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline
CID 171912866
(4S)-3-tert-butyl-1-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820500
ethyl 5-(methoxycarbonylamino)-17-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate
CID 157416552
methyl N-[(15S)-15-amino-11-hydroxy-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate
CID 155029011

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The IUPAC name of methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate (CID 95132831) is methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate.
What is the SMILES notation for methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The canonical SMILES for methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate is COC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1nc2c(s1)CCCC2.
What is the InChIKey of methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate?
The InChIKey is YXOJFRRTFGDXKJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-24-18(23)19-10-6-7-11-12(9-16(22)20-14(11)8-10)17-21-13-4-2-3-5-15(13)25-17/h6-8,12H,2-5,9H2,1H3,(H,19,23)(H,20,22)/t12-/m0/s1.
What are the key properties of methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate?
methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate has a molecular weight of 357.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate is sourced from PubChem (CID 95132831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).