1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide

C24H24N6O — CID 142033021

IUPAC1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide
SMILESNC(=O)c1cccc2c1N(CCCCn1cnc3c(N)nc4ccccc4c31)CC=C2
InChIInChI=1S/C24H24N6O/c25-23-20-22(17-9-1-2-11-19(17)28-23)30(15-27-20)13-4-3-12-29-14-6-8-16-7-5-10-18(21(16)29)24(26)31/h1-2,5-11,15H,3-4,12-14H2,(H2,25,28)(H2,26,31)
InChIKeyVRTDWMKIDCGPLE-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.58
Rot. Bonds6

About 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide

1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide (PubChem CID 142033021) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide.

Molecular Properties

Compound Name1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide
PubChem CID142033021
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide
SMILESNC(=O)c1cccc2c1N(CCCCn1cnc3c(N)nc4ccccc4c31)CC=C2
InChIInChI=1S/C24H24N6O/c25-23-20-22(17-9-1-2-11-19(17)28-23)30(15-27-20)13-4-3-12-29-14-6-8-16-7-5-10-18(21(16)29)24(26)31/h1-2,5-11,15H,3-4,12-14H2,(H2,25,28)(H2,26,31)
InChIKeyVRTDWMKIDCGPLE-UHFFFAOYSA-N
XLogP3.58
TPSA103.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide?
The IUPAC name of 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide (CID 142033021) is 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide.
What is the SMILES notation for 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide?
The canonical SMILES for 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide is NC(=O)c1cccc2c1N(CCCCn1cnc3c(N)nc4ccccc4c31)CC=C2.
What is the InChIKey of 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide?
The InChIKey is VRTDWMKIDCGPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c25-23-20-22(17-9-1-2-11-19(17)28-23)30(15-27-20)13-4-3-12-29-14-6-8-16-7-5-10-18(21(16)29)24(26)31/h1-2,5-11,15H,3-4,12-14H2,(H2,25,28)(H2,26,31).
What are the key properties of 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide?
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2H-quinoline-8-carboxamide is sourced from PubChem (CID 142033021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).