4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide

C16H21N3O2 — CID 82941455

IUPAC4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
SMILESCOCCN(C(=O)c1cc(N)c2ccccc2n1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-11(2)19(8-9-21-3)16(20)15-10-13(17)12-6-4-5-7-14(12)18-15/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18)
InChIKeyDKWSSQYMCYDXRW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds5

About 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide

4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide (PubChem CID 82941455) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
PubChem CID82941455
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
SMILESCOCCN(C(=O)c1cc(N)c2ccccc2n1)C(C)C
InChIInChI=1S/C16H21N3O2/c1-11(2)19(8-9-21-3)16(20)15-10-13(17)12-6-4-5-7-14(12)18-15/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18)
InChIKeyDKWSSQYMCYDXRW-UHFFFAOYSA-N
XLogP2.31
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate
CID 115485979
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
CID 115485824
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
CID 115349399
4-methylpentyl 4-aminoquinoline-2-carboxylate
CID 115485965
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide
CID 79385801
4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143
4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide
CID 63377285
4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide
CID 103102039
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 82949262

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide (CID 82941455) is 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide is COCCN(C(=O)c1cc(N)c2ccccc2n1)C(C)C.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide?
The InChIKey is DKWSSQYMCYDXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)19(8-9-21-3)16(20)15-10-13(17)12-6-4-5-7-14(12)18-15/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18).
What are the key properties of 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide?
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide is sourced from PubChem (CID 82941455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).