4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile

C25H18N4O2 — CID 56592258

IUPAC4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile
SMILESCOc1cc2ncc3[nH]nc(-c4ccc(C#N)c(-c5ccccc5)c4)c3c2cc1OC
InChIInChI=1S/C25H18N4O2/c1-30-22-11-19-20(12-23(22)31-2)27-14-21-24(19)25(29-28-21)16-8-9-17(13-26)18(10-16)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,28,29)
InChIKeyRNHVQHUSQUTRSS-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.33
Rot. Bonds4

About 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile

4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile (PubChem CID 56592258) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile.

Molecular Properties

Compound Name4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile
PubChem CID56592258
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC Name4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile
SMILESCOc1cc2ncc3[nH]nc(-c4ccc(C#N)c(-c5ccccc5)c4)c3c2cc1OC
InChIInChI=1S/C25H18N4O2/c1-30-22-11-19-20(12-23(22)31-2)27-14-21-24(19)25(29-28-21)16-8-9-17(13-26)18(10-16)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,28,29)
InChIKeyRNHVQHUSQUTRSS-UHFFFAOYSA-N
XLogP5.33
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile?
The IUPAC name of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile (CID 56592258) is 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile.
What is the SMILES notation for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile?
The canonical SMILES for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile is COc1cc2ncc3[nH]nc(-c4ccc(C#N)c(-c5ccccc5)c4)c3c2cc1OC.
What is the InChIKey of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile?
The InChIKey is RNHVQHUSQUTRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c1-30-22-11-19-20(12-23(22)31-2)27-14-21-24(19)25(29-28-21)16-8-9-17(13-26)18(10-16)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,28,29).
What are the key properties of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile?
4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile has a molecular weight of 406.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile is sourced from PubChem (CID 56592258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).