1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one

C20H26FN3O — CID 56624055

IUPAC1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
SMILESCCNCC1CCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1
InChIInChI=1S/C20H26FN3O/c1-3-22-10-14-8-9-23(11-14)20-13(2)19-16(15-4-5-15)6-7-18(25)24(19)12-17(20)21/h6-7,12,14-15,22H,3-5,8-11H2,1-2H3
InChIKeyJVPHKDDJRGBAMD-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.06
Rot. Bonds5

About 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one

1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one (PubChem CID 56624055) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
PubChem CID56624055
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
SMILESCCNCC1CCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1
InChIInChI=1S/C20H26FN3O/c1-3-22-10-14-8-9-23(11-14)20-13(2)19-16(15-4-5-15)6-7-18(25)24(19)12-17(20)21/h6-7,12,14-15,22H,3-5,8-11H2,1-2H3
InChIKeyJVPHKDDJRGBAMD-UHFFFAOYSA-N
XLogP3.06
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one (CID 56624055) is 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one is CCNCC1CCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1.
What is the InChIKey of 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is JVPHKDDJRGBAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-3-22-10-14-8-9-23(11-14)20-13(2)19-16(15-4-5-15)6-7-18(25)24(19)12-17(20)21/h6-7,12,14-15,22H,3-5,8-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one?
1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 343.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 56624055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).