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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Related Compounds

2-Methoxy-4-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}phenol
CID 135508121
5-{5-[(2S)-2-amino-3-(2,2,3,3-tetrafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732419
(S)-3-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-indazol-5-yl)pyridin-2-yl)phenol
CID 11518055
(S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-indazol-5-yl)pyridin-2-yl)phenol
CID 135971438
4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
CID 135839332
3-butyl-4-(3,4-dimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
CID 71448706
(2R)-2-[[6-(2-methoxyphenyl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137646239
2-[[4-(1H-indazol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 155536047
5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
CID 164623102
5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
CID 7118245
2-Methoxy-4-[4-[(1-methylindazol-4-yl)amino]quinazolin-6-yl]phenol
CID 71610725
6-(2,3-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinazolin-4-amine
CID 71610847

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).