1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide

C21H21Cl2N5O — CID 150544627

IUPAC1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCCn2cnc3c(N)nc4ccccc4c32)C(Cl)=CC=CC1Cl
InChIInChI=1S/C21H21Cl2N5O/c22-15-8-5-9-16(23)21(15,20(25)29)10-3-4-11-28-12-26-17-18(28)13-6-1-2-7-14(13)27-19(17)24/h1-2,5-9,12,15H,3-4,10-11H2,(H2,24,27)(H2,25,29)
InChIKeyIGPLAYXQUIAHGQ-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.11
Rot. Bonds6

About 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide

1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 150544627) has the molecular formula C21H21Cl2N5O and a molecular weight of 430.34 g/mol. Its IUPAC name is 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide
PubChem CID150544627
Molecular FormulaC21H21Cl2N5O
Molecular Weight430.34 g/mol
Exact Mass429.11
IUPAC Name1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCCn2cnc3c(N)nc4ccccc4c32)C(Cl)=CC=CC1Cl
InChIInChI=1S/C21H21Cl2N5O/c22-15-8-5-9-16(23)21(15,20(25)29)10-3-4-11-28-12-26-17-18(28)13-6-1-2-7-14(13)27-19(17)24/h1-2,5-9,12,15H,3-4,10-11H2,(H2,24,27)(H2,25,29)
InChIKeyIGPLAYXQUIAHGQ-UHFFFAOYSA-N
XLogP4.11
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methyl-1-phenylurea
CID 142653136
2-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-4-(chloromethyl)benzamide
CID 68819765
2-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-cyanobenzamide
CID 68819953
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide
CID 142033021
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-(4-phenoxyphenyl)urea
CID 22985743
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
CID 23512668
1-butylimidazo[4,5-c]quinoline-4-carboxamide
CID 25006952
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide
CID 59747981
methyl 10-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-10-oxodecanoate
CID 23381326

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide (CID 150544627) is 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(CCCCn2cnc3c(N)nc4ccccc4c32)C(Cl)=CC=CC1Cl.
What is the InChIKey of 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is IGPLAYXQUIAHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O/c22-15-8-5-9-16(23)21(15,20(25)29)10-3-4-11-28-12-26-17-18(28)13-6-1-2-7-14(13)27-19(17)24/h1-2,5-9,12,15H,3-4,10-11H2,(H2,24,27)(H2,25,29).
What are the key properties of 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide?
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 430.34 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-dichlorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 150544627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).