6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid

C18H21N3O4 — CID 10382821

IUPAC6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CCOCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C18H21N3O4/c1-10-15-12(8-14(19)16(10)20-4-6-25-7-5-20)17(22)13(18(23)24)9-21(15)11-2-3-11/h8-9,11H,2-7,19H2,1H3,(H,23,24)
InChIKeyJGYWLMXNYDUIDE-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.76
Rot. Bonds3

About 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid

6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid (PubChem CID 10382821) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
PubChem CID10382821
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CCOCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C18H21N3O4/c1-10-15-12(8-14(19)16(10)20-4-6-25-7-5-20)17(22)13(18(23)24)9-21(15)11-2-3-11/h8-9,11H,2-7,19H2,1H3,(H,23,24)
InChIKeyJGYWLMXNYDUIDE-UHFFFAOYSA-N
XLogP1.76
TPSA97.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid (CID 10382821) is 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid is Cc1c(N2CCOCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is JGYWLMXNYDUIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10-15-12(8-14(19)16(10)20-4-6-25-7-5-20)17(22)13(18(23)24)9-21(15)11-2-3-11/h8-9,11H,2-7,19H2,1H3,(H,23,24).
What are the key properties of 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-8-methyl-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10382821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).