1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide

C25H31N5O2 — CID 150842471

IUPAC1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CCCCC1(C(N)=O)C=CC=CC1C
InChIInChI=1S/C25H31N5O2/c1-17-9-5-6-13-25(17,24(27)31)14-7-8-15-30-20(12-16-32-2)29-21-22(30)18-10-3-4-11-19(18)28-23(21)26/h3-6,9-11,13,17H,7-8,12,14-16H2,1-2H3,(H2,26,28)(H2,27,31)
InChIKeyKOHAZYFEOJOPSP-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.76
Rot. Bonds9

About 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide

1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 150842471) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID150842471
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CCCCC1(C(N)=O)C=CC=CC1C
InChIInChI=1S/C25H31N5O2/c1-17-9-5-6-13-25(17,24(27)31)14-7-8-15-30-20(12-16-32-2)29-21-22(30)18-10-3-4-11-19(18)28-23(21)26/h3-6,9-11,13,17H,7-8,12,14-16H2,1-2H3,(H2,26,28)(H2,27,31)
InChIKeyKOHAZYFEOJOPSP-UHFFFAOYSA-N
XLogP3.76
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide
CID 68818570
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-4-chlorobenzenesulfinamide
CID 142033161
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 20714058
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen
CID 159994347
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide
CID 158474542
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothiophen-3-yl)acetamide
CID 175017580
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-pyridin-3-ylthiourea
CID 23497578
1-[4-[(2,6-dichlorophenyl)sulfanylamino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine
CID 142033055
2-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-8-sulfonamide
CID 68800168
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
CID 87579353
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide (CID 150842471) is 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide is COCCc1nc2c(N)nc3ccccc3c2n1CCCCC1(C(N)=O)C=CC=CC1C.
What is the InChIKey of 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is KOHAZYFEOJOPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-9-5-6-13-25(17,24(27)31)14-7-8-15-30-20(12-16-32-2)29-21-22(30)18-10-3-4-11-19(18)28-23(21)26/h3-6,9-11,13,17H,7-8,12,14-16H2,1-2H3,(H2,26,28)(H2,27,31).
What are the key properties of 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide?
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-6-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 150842471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).