6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine

C19H19F2N5 — CID 15948573

IUPAC6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine
SMILESCN1CCN(c2cccc(F)c2-c2nc(N)nc3ccc(F)cc23)CC1
InChIInChI=1S/C19H19F2N5/c1-25-7-9-26(10-8-25)16-4-2-3-14(21)17(16)18-13-11-12(20)5-6-15(13)23-19(22)24-18/h2-6,11H,7-10H2,1H3,(H2,22,23,24)
InChIKeyBKVYMQPVEJQKHF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.91
Rot. Bonds2

About 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine

6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine (PubChem CID 15948573) has the molecular formula C19H19F2N5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine
PubChem CID15948573
Molecular FormulaC19H19F2N5
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC Name6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine
SMILESCN1CCN(c2cccc(F)c2-c2nc(N)nc3ccc(F)cc23)CC1
InChIInChI=1S/C19H19F2N5/c1-25-7-9-26(10-8-25)16-4-2-3-14(21)17(16)18-13-11-12(20)5-6-15(13)23-19(22)24-18/h2-6,11H,7-10H2,1H3,(H2,22,23,24)
InChIKeyBKVYMQPVEJQKHF-UHFFFAOYSA-N
XLogP2.91
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine?
The IUPAC name of 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine (CID 15948573) is 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine.
What is the SMILES notation for 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine?
The canonical SMILES for 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine is CN1CCN(c2cccc(F)c2-c2nc(N)nc3ccc(F)cc23)CC1.
What is the InChIKey of 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine?
The InChIKey is BKVYMQPVEJQKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5/c1-25-7-9-26(10-8-25)16-4-2-3-14(21)17(16)18-13-11-12(20)5-6-15(13)23-19(22)24-18/h2-6,11H,7-10H2,1H3,(H2,22,23,24).
What are the key properties of 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine?
6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine has a molecular weight of 355.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 15948573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).