2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide

C21H27N5O3 — CID 163665582

IUPAC2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
SMILESCCN(C)C(=O)COCC(=O)Nc1nc2ccccc2c2c1ncn2CC(C)C
InChIInChI=1S/C21H27N5O3/c1-5-25(4)18(28)12-29-11-17(27)24-21-19-20(26(13-22-19)10-14(2)3)15-8-6-7-9-16(15)23-21/h6-9,13-14H,5,10-12H2,1-4H3,(H,23,24,27)
InChIKeyIYDNIZQKVRWZNA-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.67
Rot. Bonds8

About 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide

2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide (PubChem CID 163665582) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
PubChem CID163665582
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
SMILESCCN(C)C(=O)COCC(=O)Nc1nc2ccccc2c2c1ncn2CC(C)C
InChIInChI=1S/C21H27N5O3/c1-5-25(4)18(28)12-29-11-17(27)24-21-19-20(26(13-22-19)10-14(2)3)15-8-6-7-9-16(15)23-21/h6-9,13-14H,5,10-12H2,1-4H3,(H,23,24,27)
InChIKeyIYDNIZQKVRWZNA-UHFFFAOYSA-N
XLogP2.67
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide?
The IUPAC name of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide (CID 163665582) is 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide is CCN(C)C(=O)COCC(=O)Nc1nc2ccccc2c2c1ncn2CC(C)C.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide?
The InChIKey is IYDNIZQKVRWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-5-25(4)18(28)12-29-11-17(27)24-21-19-20(26(13-22-19)10-14(2)3)15-8-6-7-9-16(15)23-21/h6-9,13-14H,5,10-12H2,1-4H3,(H,23,24,27).
What are the key properties of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide?
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide is sourced from PubChem (CID 163665582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).