7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide

C12H13N3O2 — CID 142001167

IUPAC7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(N)=O)c(=O)c2ccc(CN)cc21
InChIInChI=1S/C12H13N3O2/c1-15-6-9(12(14)17)11(16)8-3-2-7(5-13)4-10(8)15/h2-4,6H,5,13H2,1H3,(H2,14,17)
InChIKeyXPHKQUMQYCKYMI-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.10
Rot. Bonds2

About 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide

7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 142001167) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID142001167
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(N)=O)c(=O)c2ccc(CN)cc21
InChIInChI=1S/C12H13N3O2/c1-15-6-9(12(14)17)11(16)8-3-2-7(5-13)4-10(8)15/h2-4,6H,5,13H2,1H3,(H2,14,17)
InChIKeyXPHKQUMQYCKYMI-UHFFFAOYSA-N
XLogP0.10
TPSA91.11 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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
CID 117178289
ethyl 7-formyl-1-methyl-4-oxoquinoline-3-carboxylate
CID 22626917
1,5-dimethylindole-3-carboxamide
CID 119084556
4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate
CID 19843269
N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
CID 117178236
methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
CID 84786637
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
butyl 1,6-dimethylindole-3-carboxylate
CID 135059388
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
CID 117174929
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
[2-(1,6-dimethylindol-3-yl)-4-pyridinyl]methanamine
CID 115114104

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 142001167) is 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide is Cn1cc(C(N)=O)c(=O)c2ccc(CN)cc21.
What is the InChIKey of 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is XPHKQUMQYCKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-6-9(12(14)17)11(16)8-3-2-7(5-13)4-10(8)15/h2-4,6H,5,13H2,1H3,(H2,14,17).
What are the key properties of 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 142001167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).