6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride

C24H21Cl2FN4O — CID 160703255

IUPAC6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride
SMILESCOc1ccc(-c2ncnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cc23)cc1.Cl.Cl.[H][H]
InChIInChI=1S/C24H17FN4O.2ClH.H2/c1-30-19-9-4-15(5-10-19)23-20-12-17(6-11-22(20)26-14-27-23)21-13-28-29-24(21)16-2-7-18(25)8-3-16;;;/h2-14H,1H3,(H,28,29);3*1H
InChIKeySGBZGDVMIZEDIG-UHFFFAOYSA-N
MW471.36 g/mol
LogP6.59
Rot. Bonds4

About 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride

6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride (PubChem CID 160703255) has the molecular formula C24H21Cl2FN4O and a molecular weight of 471.36 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride
PubChem CID160703255
Molecular FormulaC24H21Cl2FN4O
Molecular Weight471.36 g/mol
Exact Mass470.11
IUPAC Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride
SMILESCOc1ccc(-c2ncnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cc23)cc1.Cl.Cl.[H][H]
InChIInChI=1S/C24H17FN4O.2ClH.H2/c1-30-19-9-4-15(5-10-19)23-20-12-17(6-11-22(20)26-14-27-23)21-13-28-29-24(21)16-2-7-18(25)8-3-16;;;/h2-14H,1H3,(H,28,29);3*1H
InChIKeySGBZGDVMIZEDIG-UHFFFAOYSA-N
XLogP6.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.36
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 23537534
7-fluoro-4-(4-methoxyphenyl)quinazoline
CID 132520825
1-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperidin-4-one
CID 22032214
2-[4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperazin-1-yl]aniline
CID 22031166
7-(5-fluoro-2-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidine
CID 68912839
6-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline
CID 23537494
5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide;tetrahydrochloride
CID 68812037
2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
CID 166473874
N,N-diethyl-3-[4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperazin-1-yl]propan-1-amine
CID 22031303
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 945537

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride?
The IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride (CID 160703255) is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride?
The canonical SMILES for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride is COc1ccc(-c2ncnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cc23)cc1.Cl.Cl.[H][H].
What is the InChIKey of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride?
The InChIKey is SGBZGDVMIZEDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O.2ClH.H2/c1-30-19-9-4-15(5-10-19)23-20-12-17(6-11-22(20)26-14-27-23)21-13-28-29-24(21)16-2-7-18(25)8-3-16;;;/h2-14H,1H3,(H,28,29);3*1H.
What are the key properties of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride?
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride has a molecular weight of 471.36 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride is sourced from PubChem (CID 160703255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).