(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide

C23H22N4O3S — CID 41228511

IUPAC(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-14(28)24-19(15-5-3-2-4-6-15)12-22(30)27-23-26-20(13-31-23)17-7-9-18-16(11-17)8-10-21(29)25-18/h2-7,9,11,13,19H,8,10,12H2,1H3,(H,24,28)(H,25,29)(H,26,27,30)/t19-/m1/s1
InChIKeyVSHHDJANVNSJHE-LJQANCHMSA-N
MW434.52 g/mol
LogP3.90
Rot. Bonds6

About (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide

(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 41228511) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID41228511
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-14(28)24-19(15-5-3-2-4-6-15)12-22(30)27-23-26-20(13-31-23)17-7-9-18-16(11-17)8-10-21(29)25-18/h2-7,9,11,13,19H,8,10,12H2,1H3,(H,24,28)(H,25,29)(H,26,27,30)/t19-/m1/s1
InChIKeyVSHHDJANVNSJHE-LJQANCHMSA-N
XLogP3.90
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 24686062
(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33166774
1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide
CID 135221816
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46645877
4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 135221798
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18292999
N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 122589321
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 4857714

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 41228511) is (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide is CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is VSHHDJANVNSJHE-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14(28)24-19(15-5-3-2-4-6-15)12-22(30)27-23-26-20(13-31-23)17-7-9-18-16(11-17)8-10-21(29)25-18/h2-7,9,11,13,19H,8,10,12H2,1H3,(H,24,28)(H,25,29)(H,26,27,30)/t19-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 434.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 41228511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).