1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one

C18H21FN2O — CID 141141494

IUPAC1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
SMILESCc1c(C2CCNCC2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H21FN2O/c1-11-17(13-6-8-20-9-7-13)15(19)10-21-16(22)5-4-14(18(11)21)12-2-3-12/h4-5,10,12-13,20H,2-3,6-9H2,1H3
InChIKeyBXWBLCHFADHFQQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.09
Rot. Bonds2

About 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one

1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one (PubChem CID 141141494) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
PubChem CID141141494
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
SMILESCc1c(C2CCNCC2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H21FN2O/c1-11-17(13-6-8-20-9-7-13)15(19)10-21-16(22)5-4-14(18(11)21)12-2-3-12/h4-5,10,12-13,20H,2-3,6-9H2,1H3
InChIKeyBXWBLCHFADHFQQ-UHFFFAOYSA-N
XLogP3.09
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one?
The IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one (CID 141141494) is 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one is Cc1c(C2CCNCC2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one?
The InChIKey is BXWBLCHFADHFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-11-17(13-6-8-20-9-7-13)15(19)10-21-16(22)5-4-14(18(11)21)12-2-3-12/h4-5,10,12-13,20H,2-3,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one?
1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one has a molecular weight of 300.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one is sourced from PubChem (CID 141141494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).