4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane

C63H73Br2Cl5N8O8Zn+2 — CID 160889180

IUPAC4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane
SMILESC.C.ClCCl.Cl[Zn+].O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2[n+]1O.O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2n1.O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2[n+]1O.[CH2-]c1ccc(Cl)nc1
InChIInChI=1S/C22H22ClN3O3.C16H17BrN2O3.C16H17BrN2O2.C6H5ClN.CH2Cl2.2CH4.ClH.Zn/c23-21-10-9-14(13-24-21)11-15-12-19(26(29)18-7-3-1-5-16(15)18)22(28)25-17-6-2-4-8-20(17)27;17-11-9-14(19(22)13-7-3-1-5-10(11)13)16(21)18-12-6-2-4-8-15(12)20;17-11-9-14(18-12-6-2-1-5-10(11)12)16(21)19-13-7-3-4-8-15(13)20;1-5-2-3-6(7)8-4-5;2-1-3;;;;/h1,3,5,7,9-10,12-13,17,20,27H,2,4,6,8,11H2,(H-,25,28,29);1,3,5,7,9,12,15,20H,2,4,6,8H2,(H-,18,21,22);1-2,5-6,9,13,15,20H,3-4,7-8H2,(H,19,21);2-4H,1H2;1H2;2*1H4;1H;/q;;;-1;;;;;+2/p+1/t17-,20-;12-,15-;13-,15-;;;;;;/m000....../s1
InChIKeyQRPXDTGTNXIIDP-TWDLDQNLSA-O
MW1472.79 g/mol
LogP13.53
Rot. Bonds8

About 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane

4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane (PubChem CID 160889180) has the molecular formula C63H73Br2Cl5N8O8Zn+2 and a molecular weight of 1472.79 g/mol. Its IUPAC name is 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane.

Molecular Properties

Compound Name4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane
PubChem CID160889180
Molecular FormulaC63H73Br2Cl5N8O8Zn+2
Molecular Weight1472.79 g/mol
Exact Mass1466.16
IUPAC Name4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane
SMILESC.C.ClCCl.Cl[Zn+].O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2[n+]1O.O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2n1.O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2[n+]1O.[CH2-]c1ccc(Cl)nc1
InChIInChI=1S/C22H22ClN3O3.C16H17BrN2O3.C16H17BrN2O2.C6H5ClN.CH2Cl2.2CH4.ClH.Zn/c23-21-10-9-14(13-24-21)11-15-12-19(26(29)18-7-3-1-5-16(15)18)22(28)25-17-6-2-4-8-20(17)27;17-11-9-14(19(22)13-7-3-1-5-10(11)13)16(21)18-12-6-2-4-8-15(12)20;17-11-9-14(18-12-6-2-1-5-10(11)12)16(21)19-13-7-3-4-8-15(13)20;1-5-2-3-6(7)8-4-5;2-1-3;;;;/h1,3,5,7,9-10,12-13,17,20,27H,2,4,6,8,11H2,(H-,25,28,29);1,3,5,7,9,12,15,20H,2,4,6,8H2,(H-,18,21,22);1-2,5-6,9,13,15,20H,3-4,7-8H2,(H,19,21);2-4H,1H2;1H2;2*1H4;1H;/q;;;-1;;;;;+2/p+1/t17-,20-;12-,15-;13-,15-;;;;;;/m000....../s1
InChIKeyQRPXDTGTNXIIDP-TWDLDQNLSA-O
XLogP13.53
TPSA234.88 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001472.79
LogP ≤ 513.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane with MolForge

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Launch Full Analysis

Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2R)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 53307897
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide
CID 53308061
N-[(1S,2R)-2-hydroxycyclohexyl]-4-[[6-(1-methyl-3H-pyrazol-1-ium-4-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 140706788
7-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrrolo[3,2-b]pyridine-5-carboxamide
CID 134312620
4-[(6-chloro-3-pyridinyl)methyl]-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
CID 130441262
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 161242138
8-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 142751744
1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 122668773
4-amino-7-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzimidazole-5-carboxamide
CID 130407532
5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide
CID 129017531
4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide
CID 88874061
N-[(1S,2S)-2-hydroxycyclohexyl]-5,6-dimethyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridine-2-carboxamide
CID 129017580

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane?
The IUPAC name of 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane (CID 160889180) is 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane.
What is the SMILES notation for 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane?
The canonical SMILES for 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane is C.C.ClCCl.Cl[Zn+].O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2[n+]1O.O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c2ccccc2n1.O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2[n+]1O.[CH2-]c1ccc(Cl)nc1.
What is the InChIKey of 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane?
The InChIKey is QRPXDTGTNXIIDP-TWDLDQNLSA-O. The full InChI is InChI=1S/C22H22ClN3O3.C16H17BrN2O3.C16H17BrN2O2.C6H5ClN.CH2Cl2.2CH4.ClH.Zn/c23-21-10-9-14(13-24-21)11-15-12-19(26(29)18-7-3-1-5-16(15)18)22(28)25-17-6-2-4-8-20(17)27;17-11-9-14(19(22)13-7-3-1-5-10(11)13)16(21)18-12-6-2-4-8-15(12)20;17-11-9-14(18-12-6-2-1-5-10(11)12)16(21)19-13-7-3-4-8-15(13)20;1-5-2-3-6(7)8-4-5;2-1-3;;;;/h1,3,5,7,9-10,12-13,17,20,27H,2,4,6,8,11H2,(H-,25,28,29);1,3,5,7,9,12,15,20H,2,4,6,8H2,(H-,18,21,22);1-2,5-6,9,13,15,20H,3-4,7-8H2,(H,19,21);2-4H,1H2;1H2;2*1H4;1H;/q;;;-1;;;;;+2/p+1/t17-,20-;12-,15-;13-,15-;;;;;;/m000....../s1.
What are the key properties of 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane?
4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane has a molecular weight of 1472.79 g/mol, XLogP of 13.53, 8 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide;4-bromo-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;2-chloro-5-methanidylpyridine;4-[(6-chloro-3-pyridinyl)methyl]-1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]quinolin-1-ium-2-carboxamide;chlorozinc(1+);dichloromethane;methane is sourced from PubChem (CID 160889180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).