1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid

C22H22N2O3 — CID 21104438

IUPAC1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCCNc1cccc(-c2ccn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)c1
InChIInChI=1S/C22H22N2O3/c1-3-23-16-6-4-5-15(11-16)17-9-10-24-20(13(17)2)18(14-7-8-14)12-19(21(24)25)22(26)27/h4-6,9-12,14,23H,3,7-8H2,1-2H3,(H,26,27)
InChIKeyJUAZTCIFHAMITP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.28
Rot. Bonds5

About 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid

1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 21104438) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID21104438
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCCNc1cccc(-c2ccn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)c1
InChIInChI=1S/C22H22N2O3/c1-3-23-16-6-4-5-15(11-16)17-9-10-24-20(13(17)2)18(14-7-8-14)12-19(21(24)25)22(26)27/h4-6,9-12,14,23H,3,7-8H2,1-2H3,(H,26,27)
InChIKeyJUAZTCIFHAMITP-UHFFFAOYSA-N
XLogP4.28
TPSA70.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 21104438) is 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid is CCNc1cccc(-c2ccn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)c1.
What is the InChIKey of 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is JUAZTCIFHAMITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-23-16-6-4-5-15(11-16)17-9-10-24-20(13(17)2)18(14-7-8-14)12-19(21(24)25)22(26)27/h4-6,9-12,14,23H,3,7-8H2,1-2H3,(H,26,27).
What are the key properties of 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 21104438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).