4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid

C29H22Cl2N2O6 — CID 146531711

IUPAC4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)cc1O
InChIInChI=1S/C29H22Cl2N2O6/c30-21-2-1-3-22(31)26(21)27-20(28(39-32-27)15-4-5-15)14-38-18-8-10-23-16(12-18)6-11-25(35)33(23)17-7-9-19(29(36)37)24(34)13-17/h1-3,7-10,12-13,15,34H,4-6,11,14H2,(H,36,37)
InChIKeyPNLNCVHICCDDMY-UHFFFAOYSA-N
MW565.41 g/mol
LogP7.12
Rot. Bonds7

About 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid

4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid (PubChem CID 146531711) has the molecular formula C29H22Cl2N2O6 and a molecular weight of 565.41 g/mol. Its IUPAC name is 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid
PubChem CID146531711
Molecular FormulaC29H22Cl2N2O6
Molecular Weight565.41 g/mol
Exact Mass564.09
IUPAC Name4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)cc1O
InChIInChI=1S/C29H22Cl2N2O6/c30-21-2-1-3-22(31)26(21)27-20(28(39-32-27)15-4-5-15)14-38-18-8-10-23-16(12-18)6-11-25(35)33(23)17-7-9-19(29(36)37)24(34)13-17/h1-3,7-10,12-13,15,34H,4-6,11,14H2,(H,36,37)
InChIKeyPNLNCVHICCDDMY-UHFFFAOYSA-N
XLogP7.12
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.41
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-1-(3-chloro-5-propanimidoyl-2-pyridinyl)-3,4-dihydroquinolin-2-one
CID 153034550
6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 175734338
3-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethynyl]-2-fluorobenzoic acid
CID 135358732
3-[1-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]azetidin-3-yl]benzoic acid
CID 130366929
4-[1-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]azetidin-3-yl]benzoic acid
CID 130366954
6-[1-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]azetidin-3-yl]-1H-indole-3-carboxylic acid
CID 130294440
2-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-5,6-dihydrobenzo[b][1]benzoxepine-9-carboxylic acid
CID 134215033
4-[4-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-4-hydroxypiperidin-1-yl]benzoic acid
CID 121427664
3-[[5'-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 146531367
4-[(2S)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
CID 171744983
3-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethynyl]-5-methylbenzoic acid
CID 135358886
6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-methylindole-3-carboxylic acid
CID 24752299

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid (CID 146531711) is 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid is O=C(O)c1ccc(N2C(=O)CCc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)ccc32)cc1O.
What is the InChIKey of 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid?
The InChIKey is PNLNCVHICCDDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Cl2N2O6/c30-21-2-1-3-22(31)26(21)27-20(28(39-32-27)15-4-5-15)14-38-18-8-10-23-16(12-18)6-11-25(35)33(23)17-7-9-19(29(36)37)24(34)13-17/h1-3,7-10,12-13,15,34H,4-6,11,14H2,(H,36,37).
What are the key properties of 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid?
4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid has a molecular weight of 565.41 g/mol, XLogP of 7.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 146531711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).