N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide

C22H23N5O2 — CID 59747981

IUPACN-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCn2cnc3c(N)nc4ccccc4c32)c1
InChIInChI=1S/C22H23N5O2/c1-29-16-8-6-7-15(13-16)22(28)24-11-4-5-12-27-14-25-19-20(27)17-9-2-3-10-18(17)26-21(19)23/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H2,23,26)(H,24,28)
InChIKeyVJIKQERTPYQKKH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.39
Rot. Bonds7

About N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide

N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide (PubChem CID 59747981) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide
PubChem CID59747981
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCn2cnc3c(N)nc4ccccc4c32)c1
InChIInChI=1S/C22H23N5O2/c1-29-16-8-6-7-15(13-16)22(28)24-11-4-5-12-27-14-25-19-20(27)17-9-2-3-10-18(17)26-21(19)23/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H2,23,26)(H,24,28)
InChIKeyVJIKQERTPYQKKH-UHFFFAOYSA-N
XLogP3.39
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.39
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

N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
CID 23512668
methyl 10-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-10-oxodecanoate
CID 23381326
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-(4-phenoxyphenyl)urea
CID 22985743
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylacetamide
CID 20608816
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 110712281
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 142032826
(4S)-5-[3-(4-aminoimidazo[4,5-c]quinolin-1-yl)propylamino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 122591349
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]-3-cyanobenzamide
CID 68819953

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide (CID 59747981) is N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCCn2cnc3c(N)nc4ccccc4c32)c1.
What is the InChIKey of N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide?
The InChIKey is VJIKQERTPYQKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-16-8-6-7-15(13-16)22(28)24-11-4-5-12-27-14-25-19-20(27)17-9-2-3-10-18(17)26-21(19)23/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H2,23,26)(H,24,28).
What are the key properties of N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide?
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide is sourced from PubChem (CID 59747981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).