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

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

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Related Compounds

ML303
CID 136141525
4-[8-Methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
CID 162423119
3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
6,7-dimethoxy-N-(3-methyl-1H-indazol-6-yl)quinazolin-4-amine
CID 24949544
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
N-(1-Benzyl-1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine
CID 44279443
(E)-2-methoxy-6-((2-(2-(pyridin-3-yl)quinazolin-4-yl)hydrazono)methyl)phenol
CID 135541840
FgGpmk1-IN-1
CID 135558907
2-methoxy-4-[(1E)-(2-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydrazin-1-ylidene)methyl]phenol
CID 90928973
3-[(3,4-Dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine
CID 44523367
6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 3234028
6-(1,3-benzodioxol-5-yl)-N-benzylquinazolin-4-amine
CID 3234192

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).