N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea

C53H56N22O3 — CID 161173481

About N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea

N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea (PubChem CID 161173481) has the molecular formula C53H56N22O3 and a molecular weight of 1049.18 g/mol. Its IUPAC name is N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea.

Molecular Properties

• Compound Name: N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea
• PubChem CID: 161173481
• Molecular Formula: C53H56N22O3
• Molecular Weight: 1049.18 g/mol
• Exact Mass: 1048.49
• IUPAC Name: N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea
• SMILES: CC(=O)NCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)N(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(C)=O
• InChI: InChI=1S/C19H22N8O.C18H19N7O.C16H15N7O/c1-4-27(19(28)26(2)3)10-15-23-16-12-6-5-11(13-7-8-21-25-13)9-14(12)22-18(20)17(16)24-15;1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15;1-8(24)18-7-13-21-14-10-3-2-9(11-4-5-19-23-11)6-12(10)20-16(17)15(14)22-13/h5-9H,4,10H2,1-3H3,(H2,20,22)(H,21,25)(H,23,24);4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23);2-6H,7H2,1H3,(H2,17,20)(H,18,24)(H,19,23)(H,21,22)
• InChIKey: URMNJGIZVNMVLS-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 361.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1049.18
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea?

The IUPAC name of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea (CID 161173481) is N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea.

What is the SMILES notation for N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea?

The canonical SMILES for N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea is CC(=O)NCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)N(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(C)=O.

What is the InChIKey of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea?

The InChIKey is URMNJGIZVNMVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O.C18H19N7O.C16H15N7O/c1-4-27(19(28)26(2)3)10-15-23-16-12-6-5-11(13-7-8-21-25-13)9-14(12)22-18(20)17(16)24-15;1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15;1-8(24)18-7-13-21-14-10-3-2-9(11-4-5-19-23-11)6-12(10)20-16(17)15(14)22-13/h5-9H,4,10H2,1-3H3,(H2,20,22)(H,21,25)(H,23,24);4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23);2-6H,7H2,1H3,(H2,17,20)(H,18,24)(H,19,23)(H,21,22).

What are the key properties of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea?

N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea has a molecular weight of 1049.18 g/mol, XLogP of 6.76, 11 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea is sourced from PubChem (CID 161173481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).