[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid

C23H24N6O4 — CID 154944208

IUPAC[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid
SMILESO=C(O)NCc1cc(Nc2ncc3cccc(OC4CCC(O)CC4)c3n2)cc2[nH]cnc12
InChIInChI=1S/C23H24N6O4/c30-16-4-6-17(7-5-16)33-19-3-1-2-13-10-24-22(29-21(13)19)28-15-8-14(11-25-23(31)32)20-18(9-15)26-12-27-20/h1-3,8-10,12,16-17,25,30H,4-7,11H2,(H,26,27)(H,31,32)(H,24,28,29)
InChIKeySGTJGDNMNMJFRL-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.70
Rot. Bonds6

About [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid

[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid (PubChem CID 154944208) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid
PubChem CID154944208
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid
SMILESO=C(O)NCc1cc(Nc2ncc3cccc(OC4CCC(O)CC4)c3n2)cc2[nH]cnc12
InChIInChI=1S/C23H24N6O4/c30-16-4-6-17(7-5-16)33-19-3-1-2-13-10-24-22(29-21(13)19)28-15-8-14(11-25-23(31)32)20-18(9-15)26-12-27-20/h1-3,8-10,12,16-17,25,30H,4-7,11H2,(H,26,27)(H,31,32)(H,24,28,29)
InChIKeySGTJGDNMNMJFRL-UHFFFAOYSA-N
XLogP3.70
TPSA145.28 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid with MolForge

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Related Compounds

[6-[[8-(4-hydroxycyclohexyl)oxyquinolin-2-yl]amino]-1H-benzimidazol-4-yl]methyl carbamate
CID 175002603
4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513550
5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158028
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158221
4-[2-(3H-benzimidazol-5-ylamino)-7-bromoquinazolin-8-yl]oxycyclohexan-1-ol
CID 122513583
4-[2-[[2-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-1,3-oxazol-5-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158244
N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
CID 67102543
1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one
CID 123252345
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
CID 67102852
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978

Frequently Asked Questions

What is the IUPAC name of [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid?
The IUPAC name of [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid (CID 154944208) is [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid.
What is the SMILES notation for [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid?
The canonical SMILES for [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid is O=C(O)NCc1cc(Nc2ncc3cccc(OC4CCC(O)CC4)c3n2)cc2[nH]cnc12.
What is the InChIKey of [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid?
The InChIKey is SGTJGDNMNMJFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c30-16-4-6-17(7-5-16)33-19-3-1-2-13-10-24-22(29-21(13)19)28-15-8-14(11-25-23(31)32)20-18(9-15)26-12-27-20/h1-3,8-10,12,16-17,25,30H,4-7,11H2,(H,26,27)(H,31,32)(H,24,28,29).
What are the key properties of [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid?
[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid has a molecular weight of 448.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid is sourced from PubChem (CID 154944208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).