N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine

C17H24FN5 — CID 88906137

IUPACN-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
SMILESCC(C)=NN1C(N2CCN(C)CC2)=Nc2cc(F)ccc2C1C
InChIInChI=1S/C17H24FN5/c1-12(2)20-23-13(3)15-6-5-14(18)11-16(15)19-17(23)22-9-7-21(4)8-10-22/h5-6,11,13H,7-10H2,1-4H3
InChIKeyNLQSTRDDHAJBNX-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.83
Rot. Bonds1

About N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine

N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine (PubChem CID 88906137) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
PubChem CID88906137
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC NameN-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine
SMILESCC(C)=NN1C(N2CCN(C)CC2)=Nc2cc(F)ccc2C1C
InChIInChI=1S/C17H24FN5/c1-12(2)20-23-13(3)15-6-5-14(18)11-16(15)19-17(23)22-9-7-21(4)8-10-22/h5-6,11,13H,7-10H2,1-4H3
InChIKeyNLQSTRDDHAJBNX-UHFFFAOYSA-N
XLogP2.83
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine?
The IUPAC name of N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine (CID 88906137) is N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine.
What is the SMILES notation for N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine?
The canonical SMILES for N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine is CC(C)=NN1C(N2CCN(C)CC2)=Nc2cc(F)ccc2C1C.
What is the InChIKey of N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine?
The InChIKey is NLQSTRDDHAJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-12(2)20-23-13(3)15-6-5-14(18)11-16(15)19-17(23)22-9-7-21(4)8-10-22/h5-6,11,13H,7-10H2,1-4H3.
What are the key properties of N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine?
N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine has a molecular weight of 317.41 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]propan-2-imine is sourced from PubChem (CID 88906137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).