N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide

C16H20N2O — CID 53016185

IUPACN-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide
SMILESCCNC(=O)c1cc(C)nc2ccc(C(C)C)cc12
InChIInChI=1S/C16H20N2O/c1-5-17-16(19)14-8-11(4)18-15-7-6-12(10(2)3)9-13(14)15/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyQHBMEWQWKYOBNO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.42
Rot. Bonds3

About N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide

N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide (PubChem CID 53016185) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide
PubChem CID53016185
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide
SMILESCCNC(=O)c1cc(C)nc2ccc(C(C)C)cc12
InChIInChI=1S/C16H20N2O/c1-5-17-16(19)14-8-11(4)18-15-7-6-12(10(2)3)9-13(14)15/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyQHBMEWQWKYOBNO-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-ethyl-2-methylquinoline-4-carboxamide
CID 110489395
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562
2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 4001748
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide (CID 53016185) is N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide is CCNC(=O)c1cc(C)nc2ccc(C(C)C)cc12.
What is the InChIKey of N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide?
The InChIKey is QHBMEWQWKYOBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-5-17-16(19)14-8-11(4)18-15-7-6-12(10(2)3)9-13(14)15/h6-10H,5H2,1-4H3,(H,17,19).
What are the key properties of N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide?
N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 53016185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).