cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate

C49H49N9O5 — CID 157468690

IUPACcyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)O)cc3c2)n1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)OC4CCNCC4)cc3c2)n1.OC1CCCCC1
InChIInChI=1S/C24H23N5O2.C19H14N4O2.C6H12O/c1-15-3-2-4-21(29-15)23-22(27-14-28-23)16-5-6-20-17(11-16)12-18(13-26-20)24(30)31-19-7-9-25-10-8-19;1-11-3-2-4-16(23-11)18-17(21-10-22-18)12-5-6-15-13(7-12)8-14(9-20-15)19(24)25;7-6-4-2-1-3-5-6/h2-6,11-14,19,25H,7-10H2,1H3,(H,27,28);2-10H,1H3,(H,21,22)(H,24,25);6-7H,1-5H2
InChIKeyBUTQVHGUARDMMB-UHFFFAOYSA-N
MW843.99 g/mol
LogP8.91
Rot. Bonds7

About cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate

cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate (PubChem CID 157468690) has the molecular formula C49H49N9O5 and a molecular weight of 843.99 g/mol. Its IUPAC name is cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate
PubChem CID157468690
Molecular FormulaC49H49N9O5
Molecular Weight843.99 g/mol
Exact Mass843.39
IUPAC Namecyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate
SMILESCc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)O)cc3c2)n1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)OC4CCNCC4)cc3c2)n1.OC1CCCCC1
InChIInChI=1S/C24H23N5O2.C19H14N4O2.C6H12O/c1-15-3-2-4-21(29-15)23-22(27-14-28-23)16-5-6-20-17(11-16)12-18(13-26-20)24(30)31-19-7-9-25-10-8-19;1-11-3-2-4-16(23-11)18-17(21-10-22-18)12-5-6-15-13(7-12)8-14(9-20-15)19(24)25;7-6-4-2-1-3-5-6/h2-6,11-14,19,25H,7-10H2,1H3,(H,27,28);2-10H,1H3,(H,21,22)(H,24,25);6-7H,1-5H2
InChIKeyBUTQVHGUARDMMB-UHFFFAOYSA-N
XLogP8.91
TPSA204.78 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.99
LogP ≤ 58.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate
CID 166923513
6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid
CID 166923514
2-aminoethyl 6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate
CID 166923556
ethyl 6-fluoro-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-8-methylquinoline-3-carboxylate
CID 133448317
ethyl 8-[2-(1H-benzimidazol-2-ylamino)pyrimidin-4-yl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 57576054
Methyl 3-((5-(6-methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-imidazol-2-yl)methyl)benzoate
CID 59869031
3-Methyl-4-(2-morpholino-5-(pyrimidin-5-yl)pyridin-4-ylamino)-2-(pyridin-2-yl)quinoline-8-carboxylic acid
CID 66632293
2-[1-(1H-imidazol-5-ylmethoxy)-2-quinolin-2-ylethyl]-6-methylbenzoic acid;2-methylpropyl 2-[1-(1H-imidazol-5-ylmethoxy)-2-quinolin-2-ylethyl]-6-methylbenzoate
CID 70100355
2-amino-5-[6-[3-(2,4-dioxo-3-propyl-1H-quinazoline-6-carbonyl)imidazo[1,5-a]pyridine-6-carbonyl]oxycarbonylimidazo[1,5-a]pyridine-3-carbonyl]benzoic acid
CID 87091457
Methyl 11-benzyl-13-[[3-[[3-[[13-[2-(diethylamino)ethyl-ethylamino]-5-methoxycarbonyl-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]methyl]phenyl]methyl-methylamino]-2-methylpropyl]amino]-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate
CID 123140469
Methyl 11-benzyl-13-[[3-[[3-[[13-[4-(dimethylamino)piperidin-1-yl]-5-methoxycarbonyl-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]methyl]phenyl]methyl-methylamino]-2-methylpropyl]amino]-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylate
CID 123156215
8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 154469098

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate?
The IUPAC name of cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate (CID 157468690) is cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate.
What is the SMILES notation for cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate?
The canonical SMILES for cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate is Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)O)cc3c2)n1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)OC4CCNCC4)cc3c2)n1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate?
The InChIKey is BUTQVHGUARDMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2.C19H14N4O2.C6H12O/c1-15-3-2-4-21(29-15)23-22(27-14-28-23)16-5-6-20-17(11-16)12-18(13-26-20)24(30)31-19-7-9-25-10-8-19;1-11-3-2-4-16(23-11)18-17(21-10-22-18)12-5-6-15-13(7-12)8-14(9-20-15)19(24)25;7-6-4-2-1-3-5-6/h2-6,11-14,19,25H,7-10H2,1H3,(H,27,28);2-10H,1H3,(H,21,22)(H,24,25);6-7H,1-5H2.
What are the key properties of cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate?
cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate has a molecular weight of 843.99 g/mol, XLogP of 8.91, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;piperidin-4-yl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate is sourced from PubChem (CID 157468690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).