6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine

C22H26FN5O — CID 78901405

IUPAC6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine
SMILESCOc1ccc(N2CCN(CCCNc3ncnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C22H26FN5O/c1-29-19-6-4-18(5-7-19)28-13-11-27(12-14-28)10-2-9-24-22-20-15-17(23)3-8-21(20)25-16-26-22/h3-8,15-16H,2,9-14H2,1H3,(H,24,25,26)
InChIKeyFSSWPGLNMBOZCX-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.40
Rot. Bonds7

About 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine

6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine (PubChem CID 78901405) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine
PubChem CID78901405
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine
SMILESCOc1ccc(N2CCN(CCCNc3ncnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C22H26FN5O/c1-29-19-6-4-18(5-7-19)28-13-11-27(12-14-28)10-2-9-24-22-20-15-17(23)3-8-21(20)25-16-26-22/h3-8,15-16H,2,9-14H2,1H3,(H,24,25,26)
InChIKeyFSSWPGLNMBOZCX-UHFFFAOYSA-N
XLogP3.40
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389269
2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol
CID 21002522
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42389539
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 21002676
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
CID 42267593
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7H-purin-6-amine
CID 2155093
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
6-fluoro-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133325400
6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
CID 86305832
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
CID 133274665

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine (CID 78901405) is 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine is COc1ccc(N2CCN(CCCNc3ncnc4ccc(F)cc34)CC2)cc1.
What is the InChIKey of 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine?
The InChIKey is FSSWPGLNMBOZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-29-19-6-4-18(5-7-19)28-13-11-27(12-14-28)10-2-9-24-22-20-15-17(23)3-8-21(20)25-16-26-22/h3-8,15-16H,2,9-14H2,1H3,(H,24,25,26).
What are the key properties of 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine?
6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine has a molecular weight of 395.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine is sourced from PubChem (CID 78901405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).