2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine

C24H26N6O2 — CID 171356463

IUPAC2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)c3ccc(-c4cn[nH]c4)cc3n2)cc1
InChIInChI=1S/C24H26N6O2/c1-31-20-5-2-17(3-6-20)23-28-22-14-18(19-15-26-27-16-19)4-7-21(22)24(29-23)25-8-9-30-10-12-32-13-11-30/h2-7,14-16H,8-13H2,1H3,(H,26,27)(H,25,28,29)
InChIKeyWPMRBKSOTBUNAD-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.44
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine

2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine (PubChem CID 171356463) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine
PubChem CID171356463
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)c3ccc(-c4cn[nH]c4)cc3n2)cc1
InChIInChI=1S/C24H26N6O2/c1-31-20-5-2-17(3-6-20)23-28-22-14-18(19-15-26-27-16-19)4-7-21(22)24(29-23)25-8-9-30-10-12-32-13-11-30/h2-7,14-16H,8-13H2,1H3,(H,26,27)(H,25,28,29)
InChIKeyWPMRBKSOTBUNAD-UHFFFAOYSA-N
XLogP3.44
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine (CID 171356463) is 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine is COc1ccc(-c2nc(NCCN3CCOCC3)c3ccc(-c4cn[nH]c4)cc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine?
The InChIKey is WPMRBKSOTBUNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-31-20-5-2-17(3-6-20)23-28-22-14-18(19-15-26-27-16-19)4-7-21(22)24(29-23)25-8-9-30-10-12-32-13-11-30/h2-7,14-16H,8-13H2,1H3,(H,26,27)(H,25,28,29).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine?
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine has a molecular weight of 430.51 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 171356463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).