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

C23H18N4O2 — CID 86766641

IUPAC4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)ccc1O
InChIInChI=1S/C23H18N4O2/c1-29-23-12-15(6-8-22(23)28)14-5-7-18-16(11-14)20(9-10-24-18)26-19-3-2-4-21-17(19)13-25-27-21/h2-13,28H,1H3,(H,24,26)(H,25,27)
InChIKeyDRQRHUXWPRBMNP-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.24
Rot. Bonds4

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

4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol (PubChem CID 86766641) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol
PubChem CID86766641
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)ccc1O
InChIInChI=1S/C23H18N4O2/c1-29-23-12-15(6-8-22(23)28)14-5-7-18-16(11-14)20(9-10-24-18)26-19-3-2-4-21-17(19)13-25-27-21/h2-13,28H,1H3,(H,24,26)(H,25,27)
InChIKeyDRQRHUXWPRBMNP-UHFFFAOYSA-N
XLogP5.24
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol?
The IUPAC name of 4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol (CID 86766641) is 4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol?
The canonical SMILES for 4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol is COc1cc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)ccc1O.
What is the InChIKey of 4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol?
The InChIKey is DRQRHUXWPRBMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-29-23-12-15(6-8-22(23)28)14-5-7-18-16(11-14)20(9-10-24-18)26-19-3-2-4-21-17(19)13-25-27-21/h2-13,28H,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol?
4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol has a molecular weight of 382.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol is sourced from PubChem (CID 86766641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).