2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid

C23H24N4O4 — CID 153348000

IUPAC2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(Nc3nc(C(=O)O)co3)cc2)C[C@@H]1C
InChIInChI=1S/C23H24N4O4/c1-3-21(28)27-14(2)12-18(17-6-4-5-7-20(17)27)24-15-8-10-16(11-9-15)25-23-26-19(13-31-23)22(29)30/h4-11,13-14,18,24H,3,12H2,1-2H3,(H,25,26)(H,29,30)/t14-,18+/m0/s1
InChIKeyFVZBYCPMBLLQHH-KBXCAEBGSA-N
MW420.47 g/mol
LogP4.80
Rot. Bonds6

About 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid

2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid (PubChem CID 153348000) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid
PubChem CID153348000
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(Nc3nc(C(=O)O)co3)cc2)C[C@@H]1C
InChIInChI=1S/C23H24N4O4/c1-3-21(28)27-14(2)12-18(17-6-4-5-7-20(17)27)24-15-8-10-16(11-9-15)25-23-26-19(13-31-23)22(29)30/h4-11,13-14,18,24H,3,12H2,1-2H3,(H,25,26)(H,29,30)/t14-,18+/m0/s1
InChIKeyFVZBYCPMBLLQHH-KBXCAEBGSA-N
XLogP4.80
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 160893183
2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetamide
CID 153348007
1-[2-methyl-4-[(6-methyl-3-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548227
(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 153347967
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperazine-1-carboxamide;hydrochloride
CID 153348132
3-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoyl]amino]propylcarbamic acid
CID 175077923
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]methylamino]acetamide
CID 153347821
[1-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoyl]azetidin-3-yl]carbamic acid
CID 175073231
1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one
CID 3613081
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 153348206
N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide
CID 153347937

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid (CID 153348000) is 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid is CCC(=O)N1c2ccccc2[C@H](Nc2ccc(Nc3nc(C(=O)O)co3)cc2)C[C@@H]1C.
What is the InChIKey of 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is FVZBYCPMBLLQHH-KBXCAEBGSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-21(28)27-14(2)12-18(17-6-4-5-7-20(17)27)24-15-8-10-16(11-9-15)25-23-26-19(13-31-23)22(29)30/h4-11,13-14,18,24H,3,12H2,1-2H3,(H,25,26)(H,29,30)/t14-,18+/m0/s1.
What are the key properties of 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid?
2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 420.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 153348000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).