1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid

C20H17NO4 — CID 56959244

IUPAC1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc(O)cc2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C20H17NO4/c1-11-15(12-4-6-14(22)7-5-12)8-9-21-18(11)16(13-2-3-13)10-17(19(21)23)20(24)25/h4-10,13,22H,2-3H2,1H3,(H,24,25)
InChIKeyYPGBTNSMZUOWEL-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.56
Rot. Bonds3

About 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid

1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 56959244) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID56959244
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc(O)cc2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C20H17NO4/c1-11-15(12-4-6-14(22)7-5-12)8-9-21-18(11)16(13-2-3-13)10-17(19(21)23)20(24)25/h4-10,13,22H,2-3H2,1H3,(H,24,25)
InChIKeyYPGBTNSMZUOWEL-UHFFFAOYSA-N
XLogP3.56
TPSA79.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 56959244) is 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1c(-c2ccc(O)cc2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is YPGBTNSMZUOWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-11-15(12-4-6-14(22)7-5-12)8-9-21-18(11)16(13-2-3-13)10-17(19(21)23)20(24)25/h4-10,13,22H,2-3H2,1H3,(H,24,25).
What are the key properties of 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 56959244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).