2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid

C15H15NO4 — CID 82247796

IUPAC2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid
SMILESCOc1ccc2c(=O)cc(CC(=O)O)n(C3CC3)c2c1
InChIInChI=1S/C15H15NO4/c1-20-11-4-5-12-13(8-11)16(9-2-3-9)10(6-14(12)17)7-15(18)19/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
InChIKeyVQXBHOSHSQTFHM-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.97
Rot. Bonds4

About 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid

2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid (PubChem CID 82247796) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid
PubChem CID82247796
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid
SMILESCOc1ccc2c(=O)cc(CC(=O)O)n(C3CC3)c2c1
InChIInChI=1S/C15H15NO4/c1-20-11-4-5-12-13(8-11)16(9-2-3-9)10(6-14(12)17)7-15(18)19/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
InChIKeyVQXBHOSHSQTFHM-UHFFFAOYSA-N
XLogP1.97
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid
CID 82248592
1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82247794
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923350
4-(6-methoxy-3-methyl-1-oxoisoquinolin-2-yl)cyclohexane-1-carboxylic acid
CID 71089801
2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 172903097
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069
2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172903255
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid (CID 82247796) is 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid is COc1ccc2c(=O)cc(CC(=O)O)n(C3CC3)c2c1.
What is the InChIKey of 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid?
The InChIKey is VQXBHOSHSQTFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-20-11-4-5-12-13(8-11)16(9-2-3-9)10(6-14(12)17)7-15(18)19/h4-6,8-9H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid?
2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid is sourced from PubChem (CID 82247796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).