[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol

C22H17N5O — CID 71612081

IUPAC[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H17N5O/c28-12-14-3-1-4-15(9-14)16-7-8-19-17(10-16)22(24-13-23-19)26-20-5-2-6-21-18(20)11-25-27-21/h1-11,13,28H,12H2,(H,25,27)(H,23,24,26)
InChIKeyOZNYKUWGKVIPAK-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.41
Rot. Bonds4

About [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol

[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol (PubChem CID 71612081) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol
PubChem CID71612081
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H17N5O/c28-12-14-3-1-4-15(9-14)16-7-8-19-17(10-16)22(24-13-23-19)26-20-5-2-6-21-18(20)11-25-27-21/h1-11,13,28H,12H2,(H,25,27)(H,23,24,26)
InChIKeyOZNYKUWGKVIPAK-UHFFFAOYSA-N
XLogP4.41
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol?
The IUPAC name of [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol (CID 71612081) is [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol is OCc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1.
What is the InChIKey of [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol?
The InChIKey is OZNYKUWGKVIPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-12-14-3-1-4-15(9-14)16-7-8-19-17(10-16)22(24-13-23-19)26-20-5-2-6-21-18(20)11-25-27-21/h1-11,13,28H,12H2,(H,25,27)(H,23,24,26).
What are the key properties of [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol?
[3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol has a molecular weight of 367.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1H-indazol-4-ylamino)quinazolin-6-yl]phenyl]methanol is sourced from PubChem (CID 71612081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).