4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid

C18H21BrN4O2 — CID 68822265

IUPAC4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
SMILESCCCc1nc2cnc3cc(Br)ccc3c2n1CCCCNC(=O)O
InChIInChI=1S/C18H21BrN4O2/c1-2-5-16-22-15-11-21-14-10-12(19)6-7-13(14)17(15)23(16)9-4-3-8-20-18(24)25/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,24,25)
InChIKeyRZHRLDYAUHZILX-UHFFFAOYSA-N
MW405.30 g/mol
LogP4.35
Rot. Bonds7

About 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid

4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid (PubChem CID 68822265) has the molecular formula C18H21BrN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid.

Molecular Properties

Compound Name4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
PubChem CID68822265
Molecular FormulaC18H21BrN4O2
Molecular Weight405.30 g/mol
Exact Mass404.08
IUPAC Name4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
SMILESCCCc1nc2cnc3cc(Br)ccc3c2n1CCCCNC(=O)O
InChIInChI=1S/C18H21BrN4O2/c1-2-5-16-22-15-11-21-14-10-12(19)6-7-13(14)17(15)23(16)9-4-3-8-20-18(24)25/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,24,25)
InChIKeyRZHRLDYAUHZILX-UHFFFAOYSA-N
XLogP4.35
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
CID 154675670
4-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl N-tert-butylcarbamate
CID 91324743
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
6-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]hexane-2-sulfonamide
CID 68817958
2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline
CID 141093830
5-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 68817531
7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline
CID 155128406
N-[4-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-N-methoxyacetamide
CID 87867662
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
CID 68539386
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid?
The IUPAC name of 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid (CID 68822265) is 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid.
What is the SMILES notation for 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid?
The canonical SMILES for 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid is CCCc1nc2cnc3cc(Br)ccc3c2n1CCCCNC(=O)O.
What is the InChIKey of 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid?
The InChIKey is RZHRLDYAUHZILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2/c1-2-5-16-22-15-11-21-14-10-12(19)6-7-13(14)17(15)23(16)9-4-3-8-20-18(24)25/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,24,25).
What are the key properties of 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid?
4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid has a molecular weight of 405.30 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid is sourced from PubChem (CID 68822265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).