4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline

C20H20ClFN4O — CID 78901448

IUPAC4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
SMILESCOc1ccc(Cl)cc1CN1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H20ClFN4O/c1-27-19-5-2-15(21)10-14(19)12-25-6-8-26(9-7-25)20-17-11-16(22)3-4-18(17)23-13-24-20/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyPQBAGRDVCOSXBS-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.75
Rot. Bonds4

About 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline

4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline (PubChem CID 78901448) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline.

Molecular Properties

Compound Name4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
PubChem CID78901448
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
SMILESCOc1ccc(Cl)cc1CN1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C20H20ClFN4O/c1-27-19-5-2-15(21)10-14(19)12-25-6-8-26(9-7-25)20-17-11-16(22)3-4-18(17)23-13-24-20/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyPQBAGRDVCOSXBS-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 133490584
6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605531
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
3-[[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71995970
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-fluoroquinazoline
CID 24742053
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423608
4-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 47053328
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline?
The IUPAC name of 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline (CID 78901448) is 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline.
What is the SMILES notation for 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline?
The canonical SMILES for 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline is COc1ccc(Cl)cc1CN1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline?
The InChIKey is PQBAGRDVCOSXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-27-19-5-2-15(21)10-14(19)12-25-6-8-26(9-7-25)20-17-11-16(22)3-4-18(17)23-13-24-20/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline?
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline has a molecular weight of 386.86 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline is sourced from PubChem (CID 78901448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).