4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide

C25H30N6O — CID 155060325

IUPAC4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide
SMILESNCCCC(CCNC(=O)c1ccc(CCN)cc1)n1cnc2cnc3ccccc3c21
InChIInChI=1S/C25H30N6O/c26-13-3-4-20(12-15-28-25(32)19-9-7-18(8-10-19)11-14-27)31-17-30-23-16-29-22-6-2-1-5-21(22)24(23)31/h1-2,5-10,16-17,20H,3-4,11-15,26-27H2,(H,28,32)
InChIKeyUKRHPWVVZJKNQK-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.19
Rot. Bonds10

About 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide

4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide (PubChem CID 155060325) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide
PubChem CID155060325
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide
SMILESNCCCC(CCNC(=O)c1ccc(CCN)cc1)n1cnc2cnc3ccccc3c21
InChIInChI=1S/C25H30N6O/c26-13-3-4-20(12-15-28-25(32)19-9-7-18(8-10-19)11-14-27)31-17-30-23-16-29-22-6-2-1-5-21(22)24(23)31/h1-2,5-10,16-17,20H,3-4,11-15,26-27H2,(H,28,32)
InChIKeyUKRHPWVVZJKNQK-UHFFFAOYSA-N
XLogP3.19
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide (CID 155060325) is 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide is NCCCC(CCNC(=O)c1ccc(CCN)cc1)n1cnc2cnc3ccccc3c21.
What is the InChIKey of 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide?
The InChIKey is UKRHPWVVZJKNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c26-13-3-4-20(12-15-28-25(32)19-9-7-18(8-10-19)11-14-27)31-17-30-23-16-29-22-6-2-1-5-21(22)24(23)31/h1-2,5-10,16-17,20H,3-4,11-15,26-27H2,(H,28,32).
What are the key properties of 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide?
4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide has a molecular weight of 430.56 g/mol, XLogP of 3.19, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(6-amino-3-imidazo[4,5-c]quinolin-1-ylhexyl)benzamide is sourced from PubChem (CID 155060325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).