N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate

C49H52Br2N8O5 — CID 162185224

IUPACN-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1)C(=O)OC(C)(C)C.CCN(Cc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C26H29BrN4O3.C23H23BrN4O2/c1-6-30(25(32)34-26(2,3)4)16-23-29-22-14-28-21-13-18(27)9-12-20(21)24(22)31(23)15-17-7-10-19(33-5)11-8-17;1-4-27(15(2)29)14-22-26-21-12-25-20-11-17(24)7-10-19(20)23(21)28(22)13-16-5-8-18(30-3)9-6-16/h7-14H,6,15-16H2,1-5H3;5-12H,4,13-14H2,1-3H3
InChIKeyZPOLFIDVETWQKU-UHFFFAOYSA-N
MW992.81 g/mol
LogP10.93
Rot. Bonds12

About N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate

N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate (PubChem CID 162185224) has the molecular formula C49H52Br2N8O5 and a molecular weight of 992.81 g/mol. Its IUPAC name is N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound NameN-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
PubChem CID162185224
Molecular FormulaC49H52Br2N8O5
Molecular Weight992.81 g/mol
Exact Mass990.24
IUPAC NameN-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1)C(=O)OC(C)(C)C.CCN(Cc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C26H29BrN4O3.C23H23BrN4O2/c1-6-30(25(32)34-26(2,3)4)16-23-29-22-14-28-21-13-18(27)9-12-20(21)24(22)31(23)15-17-7-10-19(33-5)11-8-17;1-4-27(15(2)29)14-22-26-21-12-25-20-11-17(24)7-10-19(20)23(21)28(22)13-16-5-8-18(30-3)9-6-16/h7-14H,6,15-16H2,1-5H3;5-12H,4,13-14H2,1-3H3
InChIKeyZPOLFIDVETWQKU-UHFFFAOYSA-N
XLogP10.93
TPSA129.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500992.81
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate?
The IUPAC name of N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate (CID 162185224) is N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate.
What is the SMILES notation for N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate?
The canonical SMILES for N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate is CCN(Cc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1)C(=O)OC(C)(C)C.CCN(Cc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate?
The InChIKey is ZPOLFIDVETWQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrN4O3.C23H23BrN4O2/c1-6-30(25(32)34-26(2,3)4)16-23-29-22-14-28-21-13-18(27)9-12-20(21)24(22)31(23)15-17-7-10-19(33-5)11-8-17;1-4-27(15(2)29)14-22-26-21-12-25-20-11-17(24)7-10-19(20)23(21)28(22)13-16-5-8-18(30-3)9-6-16/h7-14H,6,15-16H2,1-5H3;5-12H,4,13-14H2,1-3H3.
What are the key properties of N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate?
N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate has a molecular weight of 992.81 g/mol, XLogP of 10.93, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;tert-butyl N-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 162185224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).