2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol

C23H19N5O2 — CID 71610725

IUPAC2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol
SMILESCOc1cc(-c2ccc3ncnc(Nc4cccc5c4cnn5C)c3c2)ccc1O
InChIInChI=1S/C23H19N5O2/c1-28-20-5-3-4-19(17(20)12-26-28)27-23-16-10-14(6-8-18(16)24-13-25-23)15-7-9-21(29)22(11-15)30-2/h3-13,29H,1-2H3,(H,24,25,27)
InChIKeyLNNUOBRPBFYIDV-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.64
Rot. Bonds4

About 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol

2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol (PubChem CID 71610725) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol
PubChem CID71610725
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol
SMILESCOc1cc(-c2ccc3ncnc(Nc4cccc5c4cnn5C)c3c2)ccc1O
InChIInChI=1S/C23H19N5O2/c1-28-20-5-3-4-19(17(20)12-26-28)27-23-16-10-14(6-8-18(16)24-13-25-23)15-7-9-21(29)22(11-15)30-2/h3-13,29H,1-2H3,(H,24,25,27)
InChIKeyLNNUOBRPBFYIDV-UHFFFAOYSA-N
XLogP4.64
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol?
The IUPAC name of 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol (CID 71610725) is 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol?
The canonical SMILES for 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol is COc1cc(-c2ccc3ncnc(Nc4cccc5c4cnn5C)c3c2)ccc1O.
What is the InChIKey of 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol?
The InChIKey is LNNUOBRPBFYIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-28-20-5-3-4-19(17(20)12-26-28)27-23-16-10-14(6-8-18(16)24-13-25-23)15-7-9-21(29)22(11-15)30-2/h3-13,29H,1-2H3,(H,24,25,27).
What are the key properties of 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol?
2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol has a molecular weight of 397.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol is sourced from PubChem (CID 71610725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).