2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane

C73H60Cl4F3N9O7Zn — CID 158119550

IUPAC2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane
SMILESC1CCOC1.COc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cl[Zn+].NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3ccc(Cl)nc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3ccc(Cl)nc3)cc2n1.[CH2-]c1ccc(Cl)nc1
InChIInChI=1S/2C23H17ClFN3O2.C17H13FN2O2.C6H5ClN.C4H8O.ClH.Zn/c2*24-22-8-1-13(12-27-22)9-21(29)15-4-7-17-18(14-2-5-16(25)6-3-14)11-20(23(26)30)28-19(17)10-15;1-22-12-6-7-13-14(10-2-4-11(18)5-3-10)9-16(17(19)21)20-15(13)8-12;1-5-2-3-6(7)8-4-5;1-2-4-5-3-1;;/h2*1-8,10-12,21,29H,9H2,(H2,26,30);2-9H,1H3,(H2,19,21);2-4H,1H2;1-4H2;1H;/q;;;-1;;;+2/p-1
InChIKeyFRKYQYPWVAIKJK-UHFFFAOYSA-M
MW1439.53 g/mol
LogP15.48
Rot. Bonds13

About 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane

2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane (PubChem CID 158119550) has the molecular formula C73H60Cl4F3N9O7Zn and a molecular weight of 1439.53 g/mol. Its IUPAC name is 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane.

Molecular Properties

Compound Name2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane
PubChem CID158119550
Molecular FormulaC73H60Cl4F3N9O7Zn
Molecular Weight1439.53 g/mol
Exact Mass1435.26
IUPAC Name2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane
SMILESC1CCOC1.COc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cl[Zn+].NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3ccc(Cl)nc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3ccc(Cl)nc3)cc2n1.[CH2-]c1ccc(Cl)nc1
InChIInChI=1S/2C23H17ClFN3O2.C17H13FN2O2.C6H5ClN.C4H8O.ClH.Zn/c2*24-22-8-1-13(12-27-22)9-21(29)15-4-7-17-18(14-2-5-16(25)6-3-14)11-20(23(26)30)28-19(17)10-15;1-22-12-6-7-13-14(10-2-4-11(18)5-3-10)9-16(17(19)21)20-15(13)8-12;1-5-2-3-6(7)8-4-5;1-2-4-5-3-1;;/h2*1-8,10-12,21,29H,9H2,(H2,26,30);2-9H,1H3,(H2,19,21);2-4H,1H2;1-4H2;1H;/q;;;-1;;;+2/p-1
InChIKeyFRKYQYPWVAIKJK-UHFFFAOYSA-M
XLogP15.48
TPSA265.53 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001439.53
LogP ≤ 515.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide
CID 159281528
7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
CID 71565671
4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide
CID 130412132
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565884
7-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)quinoline-2-carboxamide
CID 123276212
(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate
CID 134448147
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
CID 32810227
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244
[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
CID 175036962

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane?
The IUPAC name of 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane (CID 158119550) is 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane.
What is the SMILES notation for 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane?
The canonical SMILES for 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane is C1CCOC1.COc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cl[Zn+].NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3ccc(Cl)nc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(O)Cc3ccc(Cl)nc3)cc2n1.[CH2-]c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane?
The InChIKey is FRKYQYPWVAIKJK-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H17ClFN3O2.C17H13FN2O2.C6H5ClN.C4H8O.ClH.Zn/c2*24-22-8-1-13(12-27-22)9-21(29)15-4-7-17-18(14-2-5-16(25)6-3-14)11-20(23(26)30)28-19(17)10-15;1-22-12-6-7-13-14(10-2-4-11(18)5-3-10)9-16(17(19)21)20-15(13)8-12;1-5-2-3-6(7)8-4-5;1-2-4-5-3-1;;/h2*1-8,10-12,21,29H,9H2,(H2,26,30);2-9H,1H3,(H2,19,21);2-4H,1H2;1-4H2;1H;/q;;;-1;;;+2/p-1.
What are the key properties of 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane?
2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane has a molecular weight of 1439.53 g/mol, XLogP of 15.48, 13 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methanidylpyridine;bis(7-[2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide);chlorozinc(1+);4-(4-fluorophenyl)-7-methoxyquinoline-2-carboxamide;oxolane is sourced from PubChem (CID 158119550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).