1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide

C12H13N3O2 — CID 141068725

IUPAC1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide
SMILESCNc1c(C(N)=O)c(=O)n(C)c2ccccc12
InChIInChI=1S/C12H13N3O2/c1-14-10-7-5-3-4-6-8(7)15(2)12(17)9(10)11(13)16/h3-6,14H,1-2H3,(H2,13,16)
InChIKeyAEQOUKDNWYSASC-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.68
Rot. Bonds2

About 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide

1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide (PubChem CID 141068725) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide
PubChem CID141068725
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide
SMILESCNc1c(C(N)=O)c(=O)n(C)c2ccccc12
InChIInChI=1S/C12H13N3O2/c1-14-10-7-5-3-4-6-8(7)15(2)12(17)9(10)11(13)16/h3-6,14H,1-2H3,(H2,13,16)
InChIKeyAEQOUKDNWYSASC-UHFFFAOYSA-N
XLogP0.68
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide (CID 141068725) is 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide is CNc1c(C(N)=O)c(=O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide?
The InChIKey is AEQOUKDNWYSASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-10-7-5-3-4-6-8(7)15(2)12(17)9(10)11(13)16/h3-6,14H,1-2H3,(H2,13,16).
What are the key properties of 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide?
1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 141068725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).