4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol

C24H24N4O2 — CID 122513561

IUPAC4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESCc1ccc2cc(Nc3ncc4cccc(OC5CCC(O)CC5)c4n3)ccc2n1
InChIInChI=1S/C24H24N4O2/c1-15-5-6-16-13-18(7-12-21(16)26-15)27-24-25-14-17-3-2-4-22(23(17)28-24)30-20-10-8-19(29)9-11-20/h2-7,12-14,19-20,29H,8-11H2,1H3,(H,25,27,28)
InChIKeyMMTOUBUAMFYHPE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.91
Rot. Bonds4

About 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol

4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol (PubChem CID 122513561) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
PubChem CID122513561
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESCc1ccc2cc(Nc3ncc4cccc(OC5CCC(O)CC5)c4n3)ccc2n1
InChIInChI=1S/C24H24N4O2/c1-15-5-6-16-13-18(7-12-21(16)26-15)27-24-25-14-17-3-2-4-22(23(17)28-24)30-20-10-8-19(29)9-11-20/h2-7,12-14,19-20,29H,8-11H2,1H3,(H,25,27,28)
InChIKeyMMTOUBUAMFYHPE-UHFFFAOYSA-N
XLogP4.91
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol (CID 122513561) is 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol is Cc1ccc2cc(Nc3ncc4cccc(OC5CCC(O)CC5)c4n3)ccc2n1.
What is the InChIKey of 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The InChIKey is MMTOUBUAMFYHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-5-6-16-13-18(7-12-21(16)26-15)27-24-25-14-17-3-2-4-22(23(17)28-24)30-20-10-8-19(29)9-11-20/h2-7,12-14,19-20,29H,8-11H2,1H3,(H,25,27,28).
What are the key properties of 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol has a molecular weight of 400.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylquinolin-6-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 122513561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).