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

C44H46N14O3 — CID 159946318

IUPACN-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)C(C)=O
InChIInChI=1S/C26H27N7O2.C18H19N7O/c1-4-31(17(2)34)16-23-30-24-25(32(23)15-18-6-9-20(35-3)10-7-18)21-11-8-19(33-13-5-12-28-33)14-22(21)29-26(24)27;1-3-24(11(2)26)10-15-22-16-13-6-5-12(25-8-4-7-20-25)9-14(13)21-18(19)17(16)23-15/h5-14H,4,15-16H2,1-3H3,(H2,27,29);4-9H,3,10H2,1-2H3,(H2,19,21)(H,22,23)
InChIKeyOBNOUDUDFPYNLT-UHFFFAOYSA-N
MW818.95 g/mol
LogP6.03
Rot. Bonds11

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

N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide (PubChem CID 159946318) has the molecular formula C44H46N14O3 and a molecular weight of 818.95 g/mol. Its IUPAC name is N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide
PubChem CID159946318
Molecular FormulaC44H46N14O3
Molecular Weight818.95 g/mol
Exact Mass818.39
IUPAC NameN-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)C(C)=O
InChIInChI=1S/C26H27N7O2.C18H19N7O/c1-4-31(17(2)34)16-23-30-24-25(32(23)15-18-6-9-20(35-3)10-7-18)21-11-8-19(33-13-5-12-28-33)14-22(21)29-26(24)27;1-3-24(11(2)26)10-15-22-16-13-6-5-12(25-8-4-7-20-25)9-14(13)21-18(19)17(16)23-15/h5-14H,4,15-16H2,1-3H3,(H2,27,29);4-9H,3,10H2,1-2H3,(H2,19,21)(H,22,23)
InChIKeyOBNOUDUDFPYNLT-UHFFFAOYSA-N
XLogP6.03
TPSA209.81 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500818.95
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide?
The IUPAC name of N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide (CID 159946318) is N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide.
What is the SMILES notation for N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide?
The canonical SMILES for N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide is CCN(Cc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)C(C)=O.
What is the InChIKey of N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide?
The InChIKey is OBNOUDUDFPYNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2.C18H19N7O/c1-4-31(17(2)34)16-23-30-24-25(32(23)15-18-6-9-20(35-3)10-7-18)21-11-8-19(33-13-5-12-28-33)14-22(21)29-26(24)27;1-3-24(11(2)26)10-15-22-16-13-6-5-12(25-8-4-7-20-25)9-14(13)21-18(19)17(16)23-15/h5-14H,4,15-16H2,1-3H3,(H2,27,29);4-9H,3,10H2,1-2H3,(H2,19,21)(H,22,23).
What are the key properties of N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide?
N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide has a molecular weight of 818.95 g/mol, XLogP of 6.03, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide is sourced from PubChem (CID 159946318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).