4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate

C91H73Cl5FN13O20 — CID 159050036

IUPAC4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate
SMILESCOC(=O)/C(=C/c1ccc(Cl)cc1Oc1ccc2c(c1)NC(=O)CC2)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(Oc3ccc4c(c3)NC(=O)CC4)cc(Cl)cc2[nH]1.O=C1CCc2ccc(O)cc2N1.O=C1CCc2ccc(Oc3cc(Cl)cc4[nH]c(C(=O)O)cc34)cc2N1.O=Cc1ccc(Cl)cc1F.O=Cc1ccc(Cl)cc1Oc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C19H15ClN4O4.C19H15ClN2O4.C18H13ClN2O4.C16H12ClNO3.C9H9NO2.C7H4ClFO.C3H5N3O2/c1-27-19(26)16(23-24-21)8-12-2-5-13(20)9-17(12)28-14-6-3-11-4-7-18(25)22-15(11)10-14;1-25-19(24)16-9-13-15(21-16)6-11(20)7-17(13)26-12-4-2-10-3-5-18(23)22-14(10)8-12;19-10-5-14-12(8-15(20-14)18(23)24)16(6-10)25-11-3-1-9-2-4-17(22)21-13(9)7-11;17-12-4-1-11(9-19)15(7-12)21-13-5-2-10-3-6-16(20)18-14(10)8-13;11-7-3-1-6-2-4-9(12)10-8(6)5-7;8-6-2-1-5(4-10)7(9)3-6;1-8-3(7)2-5-6-4/h2-3,5-6,8-10H,4,7H2,1H3,(H,22,25);2,4,6-9,21H,3,5H2,1H3,(H,22,23);1,3,5-8,20H,2,4H2,(H,21,22)(H,23,24);1-2,4-5,7-9H,3,6H2,(H,18,20);1,3,5,11H,2,4H2,(H,10,12);1-4H;2H2,1H3/b16-8-;;;;;;
InChIKeyJXDMOYGAVOHWSN-PECBJAJJSA-N
MW1864.92 g/mol
LogP21.19
Rot. Bonds17

About 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate

4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate (PubChem CID 159050036) has the molecular formula C91H73Cl5FN13O20 and a molecular weight of 1864.92 g/mol. Its IUPAC name is 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate
PubChem CID159050036
Molecular FormulaC91H73Cl5FN13O20
Molecular Weight1864.92 g/mol
Exact Mass1861.35
IUPAC Name4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate
SMILESCOC(=O)/C(=C/c1ccc(Cl)cc1Oc1ccc2c(c1)NC(=O)CC2)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(Oc3ccc4c(c3)NC(=O)CC4)cc(Cl)cc2[nH]1.O=C1CCc2ccc(O)cc2N1.O=C1CCc2ccc(Oc3cc(Cl)cc4[nH]c(C(=O)O)cc34)cc2N1.O=Cc1ccc(Cl)cc1F.O=Cc1ccc(Cl)cc1Oc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C19H15ClN4O4.C19H15ClN2O4.C18H13ClN2O4.C16H12ClNO3.C9H9NO2.C7H4ClFO.C3H5N3O2/c1-27-19(26)16(23-24-21)8-12-2-5-13(20)9-17(12)28-14-6-3-11-4-7-18(25)22-15(11)10-14;1-25-19(24)16-9-13-15(21-16)6-11(20)7-17(13)26-12-4-2-10-3-5-18(23)22-14(10)8-12;19-10-5-14-12(8-15(20-14)18(23)24)16(6-10)25-11-3-1-9-2-4-17(22)21-13(9)7-11;17-12-4-1-11(9-19)15(7-12)21-13-5-2-10-3-6-16(20)18-14(10)8-13;11-7-3-1-6-2-4-9(12)10-8(6)5-7;8-6-2-1-5(4-10)7(9)3-6;1-8-3(7)2-5-6-4/h2-3,5-6,8-10H,4,7H2,1H3,(H,22,25);2,4,6-9,21H,3,5H2,1H3,(H,22,23);1,3,5-8,20H,2,4H2,(H,21,22)(H,23,24);1-2,4-5,7-9H,3,6H2,(H,18,20);1,3,5,11H,2,4H2,(H,10,12);1-4H;2H2,1H3/b16-8-;;;;;;
InChIKeyJXDMOYGAVOHWSN-PECBJAJJSA-N
XLogP21.19
TPSA482.09 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001864.92
LogP ≤ 521.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate?
The IUPAC name of 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate (CID 159050036) is 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate.
What is the SMILES notation for 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate?
The canonical SMILES for 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate is COC(=O)/C(=C/c1ccc(Cl)cc1Oc1ccc2c(c1)NC(=O)CC2)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(Oc3ccc4c(c3)NC(=O)CC4)cc(Cl)cc2[nH]1.O=C1CCc2ccc(O)cc2N1.O=C1CCc2ccc(Oc3cc(Cl)cc4[nH]c(C(=O)O)cc34)cc2N1.O=Cc1ccc(Cl)cc1F.O=Cc1ccc(Cl)cc1Oc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate?
The InChIKey is JXDMOYGAVOHWSN-PECBJAJJSA-N. The full InChI is InChI=1S/C19H15ClN4O4.C19H15ClN2O4.C18H13ClN2O4.C16H12ClNO3.C9H9NO2.C7H4ClFO.C3H5N3O2/c1-27-19(26)16(23-24-21)8-12-2-5-13(20)9-17(12)28-14-6-3-11-4-7-18(25)22-15(11)10-14;1-25-19(24)16-9-13-15(21-16)6-11(20)7-17(13)26-12-4-2-10-3-5-18(23)22-14(10)8-12;19-10-5-14-12(8-15(20-14)18(23)24)16(6-10)25-11-3-1-9-2-4-17(22)21-13(9)7-11;17-12-4-1-11(9-19)15(7-12)21-13-5-2-10-3-6-16(20)18-14(10)8-13;11-7-3-1-6-2-4-9(12)10-8(6)5-7;8-6-2-1-5(4-10)7(9)3-6;1-8-3(7)2-5-6-4/h2-3,5-6,8-10H,4,7H2,1H3,(H,22,25);2,4,6-9,21H,3,5H2,1H3,(H,22,23);1,3,5-8,20H,2,4H2,(H,21,22)(H,23,24);1-2,4-5,7-9H,3,6H2,(H,18,20);1,3,5,11H,2,4H2,(H,10,12);1-4H;2H2,1H3/b16-8-;;;;;;.
What are the key properties of 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate?
4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate has a molecular weight of 1864.92 g/mol, XLogP of 21.19, 17 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluorobenzaldehyde;4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]benzaldehyde;6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylic acid;7-hydroxy-3,4-dihydro-1H-quinolin-2-one;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]phenyl]prop-2-enoate;methyl 6-chloro-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]-1H-indole-2-carboxylate is sourced from PubChem (CID 159050036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).