[6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate

C24H25N5O4 — CID 175002603

IUPAC[6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate
SMILESNC(=O)OCc1cc(Nc2ccc3cccc(OC4CCC(O)CC4)c3n2)cc2[nH]cnc12
InChIInChI=1S/C24H25N5O4/c25-24(31)32-12-15-10-16(11-19-22(15)27-13-26-19)28-21-9-4-14-2-1-3-20(23(14)29-21)33-18-7-5-17(30)6-8-18/h1-4,9-11,13,17-18,30H,5-8,12H2,(H2,25,31)(H,26,27)(H,28,29)
InChIKeyIWQJLBGTHHJAKE-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.13
Rot. Bonds6

About [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate

[6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate (PubChem CID 175002603) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate.

Molecular Properties

Compound Name[6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate
PubChem CID175002603
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name[6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate
SMILESNC(=O)OCc1cc(Nc2ccc3cccc(OC4CCC(O)CC4)c3n2)cc2[nH]cnc12
InChIInChI=1S/C24H25N5O4/c25-24(31)32-12-15-10-16(11-19-22(15)27-13-26-19)28-21-9-4-14-2-1-3-20(23(14)29-21)33-18-7-5-17(30)6-8-18/h1-4,9-11,13,17-18,30H,5-8,12H2,(H2,25,31)(H,26,27)(H,28,29)
InChIKeyIWQJLBGTHHJAKE-UHFFFAOYSA-N
XLogP4.13
TPSA135.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate with MolForge

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Related Compounds

[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid
CID 154944208
5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158028
4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158221
4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513550
3-(2-methylquinolin-8-yl)oxycyclohexan-1-ol
CID 79618810
methyl 2-(4-hydroxycyclohexyl)oxybenzoate
CID 117053868
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one
CID 123252345
N-cyclopropyl-8-methoxyquinolin-2-amine
CID 84621892
tert-butyl 4-[1-hydroxy-7-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-2,3,1-benzodiazaborinine-2-carbonyl]piperidine-1-carboxylate
CID 142561796
4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide
CID 142323097
4-[2-[[2-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-1,3-oxazol-5-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158244

Frequently Asked Questions

What is the IUPAC name of [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate?
The IUPAC name of [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate (CID 175002603) is [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate.
What is the SMILES notation for [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate?
The canonical SMILES for [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate is NC(=O)OCc1cc(Nc2ccc3cccc(OC4CCC(O)CC4)c3n2)cc2[nH]cnc12.
What is the InChIKey of [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate?
The InChIKey is IWQJLBGTHHJAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c25-24(31)32-12-15-10-16(11-19-22(15)27-13-26-19)28-21-9-4-14-2-1-3-20(23(14)29-21)33-18-7-5-17(30)6-8-18/h1-4,9-11,13,17-18,30H,5-8,12H2,(H2,25,31)(H,26,27)(H,28,29).
What are the key properties of [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate?
[6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate has a molecular weight of 447.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate is sourced from PubChem (CID 175002603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).