4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide

C17H18N4O2 — CID 122185987

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2c(C)noc2C)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C17H18N4O2/c1-9-7-15(19-8-14-10(2)21-23-11(14)3)12-5-4-6-13(17(18)22)16(12)20-9/h4-7H,8H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyOZEKYJDCXAUIFD-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.86
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide (PubChem CID 122185987) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide
PubChem CID122185987
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2c(C)noc2C)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C17H18N4O2/c1-9-7-15(19-8-14-10(2)21-23-11(14)3)12-5-4-6-13(17(18)22)16(12)20-9/h4-7H,8H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyOZEKYJDCXAUIFD-UHFFFAOYSA-N
XLogP2.86
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide (CID 122185987) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide is Cc1cc(NCc2c(C)noc2C)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide?
The InChIKey is OZEKYJDCXAUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-9-7-15(19-8-14-10(2)21-23-11(14)3)12-5-4-6-13(17(18)22)16(12)20-9/h4-7H,8H2,1-3H3,(H2,18,22)(H,19,20).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-methylquinoline-8-carboxamide is sourced from PubChem (CID 122185987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).