8-tert-butyl-4-methylquinoline-2-carboxamide

C15H18N2O — CID 82574016

IUPAC8-tert-butyl-4-methylquinoline-2-carboxamide
SMILESCc1cc(C(N)=O)nc2c(C(C)(C)C)cccc12
InChIInChI=1S/C15H18N2O/c1-9-8-12(14(16)18)17-13-10(9)6-5-7-11(13)15(2,3)4/h5-8H,1-4H3,(H2,16,18)
InChIKeyMRPSEMMSKVNUSD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.94
Rot. Bonds1

About 8-tert-butyl-4-methylquinoline-2-carboxamide

8-tert-butyl-4-methylquinoline-2-carboxamide (PubChem CID 82574016) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 8-tert-butyl-4-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-4-methylquinoline-2-carboxamide
PubChem CID82574016
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name8-tert-butyl-4-methylquinoline-2-carboxamide
SMILESCc1cc(C(N)=O)nc2c(C(C)(C)C)cccc12
InChIInChI=1S/C15H18N2O/c1-9-8-12(14(16)18)17-13-10(9)6-5-7-11(13)15(2,3)4/h5-8H,1-4H3,(H2,16,18)
InChIKeyMRPSEMMSKVNUSD-UHFFFAOYSA-N
XLogP2.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4-methylquinoline-2-carboxamide?
The IUPAC name of 8-tert-butyl-4-methylquinoline-2-carboxamide (CID 82574016) is 8-tert-butyl-4-methylquinoline-2-carboxamide.
What is the SMILES notation for 8-tert-butyl-4-methylquinoline-2-carboxamide?
The canonical SMILES for 8-tert-butyl-4-methylquinoline-2-carboxamide is Cc1cc(C(N)=O)nc2c(C(C)(C)C)cccc12.
What is the InChIKey of 8-tert-butyl-4-methylquinoline-2-carboxamide?
The InChIKey is MRPSEMMSKVNUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-8-12(14(16)18)17-13-10(9)6-5-7-11(13)15(2,3)4/h5-8H,1-4H3,(H2,16,18).
What are the key properties of 8-tert-butyl-4-methylquinoline-2-carboxamide?
8-tert-butyl-4-methylquinoline-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4-methylquinoline-2-carboxamide is sourced from PubChem (CID 82574016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).