6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine

C20H22FN5 — CID 164623119

IUPAC6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine
SMILESCC(Nc1nc(N2CCNCC2)nc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C20H22FN5/c1-14(15-5-3-2-4-6-15)23-19-17-13-16(21)7-8-18(17)24-20(25-19)26-11-9-22-10-12-26/h2-8,13-14,22H,9-12H2,1H3,(H,23,24,25)
InChIKeyOBHDNSBRTWVOGP-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.35
Rot. Bonds4

About 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine

6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine (PubChem CID 164623119) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine
PubChem CID164623119
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine
SMILESCC(Nc1nc(N2CCNCC2)nc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C20H22FN5/c1-14(15-5-3-2-4-6-15)23-19-17-13-16(21)7-8-18(17)24-20(25-19)26-11-9-22-10-12-26/h2-8,13-14,22H,9-12H2,1H3,(H,23,24,25)
InChIKeyOBHDNSBRTWVOGP-UHFFFAOYSA-N
XLogP3.35
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine (CID 164623119) is 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine is CC(Nc1nc(N2CCNCC2)nc2ccc(F)cc12)c1ccccc1.
What is the InChIKey of 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine?
The InChIKey is OBHDNSBRTWVOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-14(15-5-3-2-4-6-15)23-19-17-13-16(21)7-8-18(17)24-20(25-19)26-11-9-22-10-12-26/h2-8,13-14,22H,9-12H2,1H3,(H,23,24,25).
What are the key properties of 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine?
6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine has a molecular weight of 351.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 164623119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).