3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine

C79H125N19O2 — CID 158719711

IUPAC3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCCN(CCCCN)CCCCn1c(CCCC)nc2c(N)nc3ccccc3c21.CCCCCNC(=O)CCN(CCCCn1c(CCCC)nc2c(N)nc3ccccc3c21)CCC(=O)NCCCCN.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC
InChIInChI=1S/C33H54N8O2.C27H44N6.C19H27N5/c1-3-5-10-20-36-29(42)17-24-40(25-18-30(43)37-21-11-9-19-34)22-12-13-23-41-28(16-6-4-2)39-31-32(41)26-14-7-8-15-27(26)38-33(31)35;1-3-5-10-18-32(19-11-9-17-28)20-12-13-21-33-24(16-6-4-2)31-25-26(33)22-14-7-8-15-23(22)30-27(25)29;1-3-4-11-16-23-17-18(24(16)13-8-7-12-21-2)14-9-5-6-10-15(14)22-19(17)20/h7-8,14-15H,3-6,9-13,16-25,34H2,1-2H3,(H2,35,38)(H,36,42)(H,37,43);7-8,14-15H,3-6,9-13,16-21,28H2,1-2H3,(H2,29,30);5-6,9-10,21H,3-4,7-8,11-13H2,1-2H3,(H2,20,22)
InChIKeyIJTJGYGFTHEARQ-UHFFFAOYSA-N
MW1373.00 g/mol
LogP13.56
Rot. Bonds46

About 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine

3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 158719711) has the molecular formula C79H125N19O2 and a molecular weight of 1373.00 g/mol. Its IUPAC name is 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID158719711
Molecular FormulaC79H125N19O2
Molecular Weight1373.00 g/mol
Exact Mass1372.03
IUPAC Name3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCCN(CCCCN)CCCCn1c(CCCC)nc2c(N)nc3ccccc3c21.CCCCCNC(=O)CCN(CCCCn1c(CCCC)nc2c(N)nc3ccccc3c21)CCC(=O)NCCCCN.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC
InChIInChI=1S/C33H54N8O2.C27H44N6.C19H27N5/c1-3-5-10-20-36-29(42)17-24-40(25-18-30(43)37-21-11-9-19-34)22-12-13-23-41-28(16-6-4-2)39-31-32(41)26-14-7-8-15-27(26)38-33(31)35;1-3-5-10-18-32(19-11-9-17-28)20-12-13-21-33-24(16-6-4-2)31-25-26(33)22-14-7-8-15-23(22)30-27(25)29;1-3-4-11-16-23-17-18(24(16)13-8-7-12-21-2)14-9-5-6-10-15(14)22-19(17)20/h7-8,14-15H,3-6,9-13,16-25,34H2,1-2H3,(H2,35,38)(H,36,42)(H,37,43);7-8,14-15H,3-6,9-13,16-21,28H2,1-2H3,(H2,29,30);5-6,9-10,21H,3-4,7-8,11-13H2,1-2H3,(H2,20,22)
InChIKeyIJTJGYGFTHEARQ-UHFFFAOYSA-N
XLogP13.56
TPSA298.94 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds46
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001373.00
LogP ≤ 513.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine (CID 158719711) is 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine is CCCCCN(CCCCN)CCCCn1c(CCCC)nc2c(N)nc3ccccc3c21.CCCCCNC(=O)CCN(CCCCn1c(CCCC)nc2c(N)nc3ccccc3c21)CCC(=O)NCCCCN.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC.
What is the InChIKey of 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is IJTJGYGFTHEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54N8O2.C27H44N6.C19H27N5/c1-3-5-10-20-36-29(42)17-24-40(25-18-30(43)37-21-11-9-19-34)22-12-13-23-41-28(16-6-4-2)39-31-32(41)26-14-7-8-15-27(26)38-33(31)35;1-3-5-10-18-32(19-11-9-17-28)20-12-13-21-33-24(16-6-4-2)31-25-26(33)22-14-7-8-15-23(22)30-27(25)29;1-3-4-11-16-23-17-18(24(16)13-8-7-12-21-2)14-9-5-6-10-15(14)22-19(17)20/h7-8,14-15H,3-6,9-13,16-25,34H2,1-2H3,(H2,35,38)(H,36,42)(H,37,43);7-8,14-15H,3-6,9-13,16-21,28H2,1-2H3,(H2,29,30);5-6,9-10,21H,3-4,7-8,11-13H2,1-2H3,(H2,20,22).
What are the key properties of 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine?
3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 1373.00 g/mol, XLogP of 13.56, 46 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 158719711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).