(S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide

C20H24ClN3O2S — CID 163639965

IUPAC(S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCN1C(=O)CCc2cc(-c3cncc(CN[S@@](=O)C(C)(C)C)c3Cl)ccc21
InChIInChI=1S/C20H24ClN3O2S/c1-20(2,3)27(26)23-11-15-10-22-12-16(19(15)21)13-5-7-17-14(9-13)6-8-18(25)24(17)4/h5,7,9-10,12,23H,6,8,11H2,1-4H3/t27-/m0/s1
InChIKeyIDKAWRXDPLNYBD-MHZLTWQESA-N
MW405.95 g/mol
LogP3.86
Rot. Bonds4

About (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide

(S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 163639965) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID163639965
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name(S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCN1C(=O)CCc2cc(-c3cncc(CN[S@@](=O)C(C)(C)C)c3Cl)ccc21
InChIInChI=1S/C20H24ClN3O2S/c1-20(2,3)27(26)23-11-15-10-22-12-16(19(15)21)13-5-7-17-14(9-13)6-8-18(25)24(17)4/h5,7,9-10,12,23H,6,8,11H2,1-4H3/t27-/m0/s1
InChIKeyIDKAWRXDPLNYBD-MHZLTWQESA-N
XLogP3.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide with MolForge

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Launch Full Analysis

Related Compounds

6-[4-chloro-5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 150308947
6-[1-(2-aminoethyl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 71536486
N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
CID 146605053
2,2,3,3,3-pentahydroxy-N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 170766309
2,2,3,3,3-pentahydroxy-N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 170766305
N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide
CID 71538745
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
6-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86679151
N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 78320873
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466

Frequently Asked Questions

What is the IUPAC name of (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide (CID 163639965) is (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide is CN1C(=O)CCc2cc(-c3cncc(CN[S@@](=O)C(C)(C)C)c3Cl)ccc21.
What is the InChIKey of (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is IDKAWRXDPLNYBD-MHZLTWQESA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-20(2,3)27(26)23-11-15-10-22-12-16(19(15)21)13-5-7-17-14(9-13)6-8-18(25)24(17)4/h5,7,9-10,12,23H,6,8,11H2,1-4H3/t27-/m0/s1.
What are the key properties of (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
(S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 405.95 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163639965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).