1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one

C21H28FN3O — CID 174313522

IUPAC1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
SMILESCCN(C)[C@H]1CCCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1
InChIInChI=1S/C21H28FN3O/c1-4-23(3)16-6-5-11-24(12-16)21-14(2)20-17(15-7-8-15)9-10-19(26)25(20)13-18(21)22/h9-10,13,15-16H,4-8,11-12H2,1-3H3/t16-/m0/s1
InChIKeyZGUICHGPAZZFFQ-INIZCTEOSA-N
MW357.47 g/mol
LogP3.54
Rot. Bonds4

About 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one

1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one (PubChem CID 174313522) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
PubChem CID174313522
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
SMILESCCN(C)[C@H]1CCCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1
InChIInChI=1S/C21H28FN3O/c1-4-23(3)16-6-5-11-24(12-16)21-14(2)20-17(15-7-8-15)9-10-19(26)25(20)13-18(21)22/h9-10,13,15-16H,4-8,11-12H2,1-3H3/t16-/m0/s1
InChIKeyZGUICHGPAZZFFQ-INIZCTEOSA-N
XLogP3.54
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one (CID 174313522) is 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one is CCN(C)[C@H]1CCCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1.
What is the InChIKey of 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is ZGUICHGPAZZFFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-4-23(3)16-6-5-11-24(12-16)21-14(2)20-17(15-7-8-15)9-10-19(26)25(20)13-18(21)22/h9-10,13,15-16H,4-8,11-12H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 357.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 174313522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).