1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one

C19H24FN3O — CID 149161152

IUPAC1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2C[C@@H](C)N[C@@H](C)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C19H24FN3O/c1-11-8-22(9-12(2)21-11)19-13(3)18-15(14-4-5-14)6-7-17(24)23(18)10-16(19)20/h6-7,10-12,14,21H,4-5,8-9H2,1-3H3/t11-,12+
InChIKeyVAEQMBLXJUPAPB-TXEJJXNPSA-N
MW329.42 g/mol
LogP2.81
Rot. Bonds2

About 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one

1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one (PubChem CID 149161152) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one
PubChem CID149161152
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2C[C@@H](C)N[C@@H](C)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C19H24FN3O/c1-11-8-22(9-12(2)21-11)19-13(3)18-15(14-4-5-14)6-7-17(24)23(18)10-16(19)20/h6-7,10-12,14,21H,4-5,8-9H2,1-3H3/t11-,12+
InChIKeyVAEQMBLXJUPAPB-TXEJJXNPSA-N
XLogP2.81
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one (CID 149161152) is 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one is Cc1c(N2C[C@@H](C)N[C@@H](C)C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is VAEQMBLXJUPAPB-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-11-8-22(9-12(2)21-11)19-13(3)18-15(14-4-5-14)6-7-17(24)23(18)10-16(19)20/h6-7,10-12,14,21H,4-5,8-9H2,1-3H3/t11-,12+.
What are the key properties of 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 329.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 149161152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).