1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid

C18H16N2O3 — CID 56959240

IUPAC1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid
SMILESCc1c(-c2cc[nH]c2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C18H16N2O3/c1-10-13(12-4-6-19-9-12)5-7-20-16(10)14(11-2-3-11)8-15(17(20)21)18(22)23/h4-9,11,19H,2-3H2,1H3,(H,22,23)
InChIKeyYBVATJRUOYEGOB-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.18
Rot. Bonds3

About 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid

1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid (PubChem CID 56959240) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid
PubChem CID56959240
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid
SMILESCc1c(-c2cc[nH]c2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C18H16N2O3/c1-10-13(12-4-6-19-9-12)5-7-20-16(10)14(11-2-3-11)8-15(17(20)21)18(22)23/h4-9,11,19H,2-3H2,1H3,(H,22,23)
InChIKeyYBVATJRUOYEGOB-UHFFFAOYSA-N
XLogP3.18
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 56959244
8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 56959243
8-(4-carbamoylphenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 21104474
8-(4-amino-3,5-dimethylphenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 21104472
8-[4-(aminomethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 23019686
8-[4-(1-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 21104466
8-(6-amino-5-methyl-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 88925546
1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 88925639
1-cyclopropyl-8-[3-(ethylamino)phenyl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 21104438
8-[4-(2-amino-2-carboxyethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 21104467
8-(4-amino-3-carbamimidoylphenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 123945736
8-(4-amino-3-ethanimidoylphenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 134447639

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid (CID 56959240) is 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid is Cc1c(-c2cc[nH]c2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid?
The InChIKey is YBVATJRUOYEGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-10-13(12-4-6-19-9-12)5-7-20-16(10)14(11-2-3-11)8-15(17(20)21)18(22)23/h4-9,11,19H,2-3H2,1H3,(H,22,23).
What are the key properties of 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid?
1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-9-methyl-4-oxo-8-(1H-pyrrol-3-yl)quinolizine-3-carboxylic acid is sourced from PubChem (CID 56959240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).