4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide

C26H22N6O2 — CID 162677150

IUPAC4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1
InChIInChI=1S/C26H22N6O2/c1-32-15-19(14-29-32)18-8-11-23-24(12-18)27-16-28-25(23)30-20-4-3-5-21(13-20)31-26(33)17-6-9-22(34-2)10-7-17/h3-16H,1-2H3,(H,31,33)(H,27,28,30)
InChIKeyJPEQDZOKSFLOHV-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.03
Rot. Bonds6

About 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide

4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide (PubChem CID 162677150) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide
PubChem CID162677150
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1
InChIInChI=1S/C26H22N6O2/c1-32-15-19(14-29-32)18-8-11-23-24(12-18)27-16-28-25(23)30-20-4-3-5-21(13-20)31-26(33)17-6-9-22(34-2)10-7-17/h3-16H,1-2H3,(H,31,33)(H,27,28,30)
InChIKeyJPEQDZOKSFLOHV-UHFFFAOYSA-N
XLogP5.03
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 56596178
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CID 70692760
CID 70692760
CID 72724933
CID 72724933
CID 89554797
CID 89554797
CID 89554872
CID 89554872
CID 89554892
CID 89554892
CID 117668361
CID 117668361
CID 121273603
CID 121273603
CID 46868887
CID 46868887

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide (CID 162677150) is 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(Nc3ncnc4cc(-c5cnn(C)c5)ccc34)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide?
The InChIKey is JPEQDZOKSFLOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-32-15-19(14-29-32)18-8-11-23-24(12-18)27-16-28-25(23)30-20-4-3-5-21(13-20)31-26(33)17-6-9-22(34-2)10-7-17/h3-16H,1-2H3,(H,31,33)(H,27,28,30).
What are the key properties of 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide?
4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide has a molecular weight of 450.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]benzamide is sourced from PubChem (CID 162677150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).