1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane

C20H28N2O4 — CID 144618072

IUPAC1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane
SMILESCCC.CCCNC(=O)c1cn(C2CC2)c2cc(O)c(O)c(C)c2c1=O
InChIInChI=1S/C17H20N2O4.C3H8/c1-3-6-18-17(23)11-8-19(10-4-5-10)12-7-13(20)15(21)9(2)14(12)16(11)22;1-3-2/h7-8,10,20-21H,3-6H2,1-2H3,(H,18,23);3H2,1-2H3
InChIKeyXMFWUFCDHPRJAY-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.61
Rot. Bonds4

About 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane

1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane (PubChem CID 144618072) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane.

Molecular Properties

Compound Name1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane
PubChem CID144618072
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane
SMILESCCC.CCCNC(=O)c1cn(C2CC2)c2cc(O)c(O)c(C)c2c1=O
InChIInChI=1S/C17H20N2O4.C3H8/c1-3-6-18-17(23)11-8-19(10-4-5-10)12-7-13(20)15(21)9(2)14(12)16(11)22;1-3-2/h7-8,10,20-21H,3-6H2,1-2H3,(H,18,23);3H2,1-2H3
InChIKeyXMFWUFCDHPRJAY-UHFFFAOYSA-N
XLogP3.61
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-cyclopropyl-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
CID 86732837
difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate
CID 59342464
1-cyclopropyl-6,7-dihydroxy-N-methylsulfanyl-4-oxoquinoline-3-carboxamide
CID 123629000
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
CID 142006209
5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212683
1-cyclopropyl-N-[2-(diethylamino)ethyl]-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide
CID 46861247
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 22154155
1-cyclopropyl-6-fluoro-5-methyl-7-[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid
CID 139636868
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane?
The IUPAC name of 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane (CID 144618072) is 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane.
What is the SMILES notation for 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane?
The canonical SMILES for 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane is CCC.CCCNC(=O)c1cn(C2CC2)c2cc(O)c(O)c(C)c2c1=O.
What is the InChIKey of 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane?
The InChIKey is XMFWUFCDHPRJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4.C3H8/c1-3-6-18-17(23)11-8-19(10-4-5-10)12-7-13(20)15(21)9(2)14(12)16(11)22;1-3-2/h7-8,10,20-21H,3-6H2,1-2H3,(H,18,23);3H2,1-2H3.
What are the key properties of 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane?
1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane has a molecular weight of 360.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,7-dihydroxy-5-methyl-4-oxo-N-propylquinoline-3-carboxamide;propane is sourced from PubChem (CID 144618072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).