4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol

C22H17N5O2 — CID 71610851

IUPAC4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)ccc1O
InChIInChI=1S/C22H17N5O2/c1-29-21-10-14(6-8-20(21)28)13-5-7-17-15(9-13)22(24-12-23-17)26-18-3-2-4-19-16(18)11-25-27-19/h2-12,28H,1H3,(H,25,27)(H,23,24,26)
InChIKeyDMGHIXCKZCVUCS-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.63
Rot. Bonds4

About 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol

4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol (PubChem CID 71610851) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol
PubChem CID71610851
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)ccc1O
InChIInChI=1S/C22H17N5O2/c1-29-21-10-14(6-8-20(21)28)13-5-7-17-15(9-13)22(24-12-23-17)26-18-3-2-4-19-16(18)11-25-27-19/h2-12,28H,1H3,(H,25,27)(H,23,24,26)
InChIKeyDMGHIXCKZCVUCS-UHFFFAOYSA-N
XLogP4.63
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol?
The IUPAC name of 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol (CID 71610851) is 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol?
The canonical SMILES for 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol is COc1cc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)ccc1O.
What is the InChIKey of 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol?
The InChIKey is DMGHIXCKZCVUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-29-21-10-14(6-8-20(21)28)13-5-7-17-15(9-13)22(24-12-23-17)26-18-3-2-4-19-16(18)11-25-27-19/h2-12,28H,1H3,(H,25,27)(H,23,24,26).
What are the key properties of 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol?
4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol has a molecular weight of 383.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]-2-methoxyphenol is sourced from PubChem (CID 71610851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).