4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine

C80H93N13O — CID 123208162

IUPAC4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
SMILESCC(C)CN1C(=O)Cc2c(N)nc3ccccc3c21.CCCCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C33H39N5.C32H37N5.C15H17N3O/c1-5-6-21-36(4)33-35-30-31(38(33)22-25(2)3)28-19-13-14-20-29(28)34-32(30)37(23-26-15-9-7-10-16-26)24-27-17-11-8-12-18-27;1-4-5-20-33-32-35-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)34-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-9(2)8-18-13(19)7-11-14(18)10-5-3-4-6-12(10)17-15(11)16/h7-20,25H,5-6,21-24H2,1-4H3;6-19,24H,4-5,20-23H2,1-3H3,(H,33,35);3-6,9H,7-8H2,1-2H3,(H2,16,17)
InChIKeyWXWQYAYKAUYVRL-UHFFFAOYSA-N
MW1252.71 g/mol
LogP17.70
Rot. Bonds24

About 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine

4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine (PubChem CID 123208162) has the molecular formula C80H93N13O and a molecular weight of 1252.71 g/mol. Its IUPAC name is 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine.

Molecular Properties

Compound Name4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
PubChem CID123208162
Molecular FormulaC80H93N13O
Molecular Weight1252.71 g/mol
Exact Mass1251.76
IUPAC Name4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
SMILESCC(C)CN1C(=O)Cc2c(N)nc3ccccc3c21.CCCCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C
InChIInChI=1S/C33H39N5.C32H37N5.C15H17N3O/c1-5-6-21-36(4)33-35-30-31(38(33)22-25(2)3)28-19-13-14-20-29(28)34-32(30)37(23-26-15-9-7-10-16-26)24-27-17-11-8-12-18-27;1-4-5-20-33-32-35-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)34-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-9(2)8-18-13(19)7-11-14(18)10-5-3-4-6-12(10)17-15(11)16/h7-20,25H,5-6,21-24H2,1-4H3;6-19,24H,4-5,20-23H2,1-3H3,(H,33,35);3-6,9H,7-8H2,1-2H3,(H2,16,17)
InChIKeyWXWQYAYKAUYVRL-UHFFFAOYSA-N
XLogP17.70
TPSA142.39 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001252.71
LogP ≤ 517.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine with MolForge

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Related Compounds

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CID 56954729
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]octanediamide
CID 56954730
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]dodecanediamide
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US11071730, Example 61
CID 146639926
US11071730, Example 60
CID 146639955
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine?
The IUPAC name of 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine (CID 123208162) is 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine.
What is the SMILES notation for 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine?
The canonical SMILES for 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine is CC(C)CN1C(=O)Cc2c(N)nc3ccccc3c21.CCCCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.CCCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.
What is the InChIKey of 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine?
The InChIKey is WXWQYAYKAUYVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5.C32H37N5.C15H17N3O/c1-5-6-21-36(4)33-35-30-31(38(33)22-25(2)3)28-19-13-14-20-29(28)34-32(30)37(23-26-15-9-7-10-16-26)24-27-17-11-8-12-18-27;1-4-5-20-33-32-35-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)34-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-9(2)8-18-13(19)7-11-14(18)10-5-3-4-6-12(10)17-15(11)16/h7-20,25H,5-6,21-24H2,1-4H3;6-19,24H,4-5,20-23H2,1-3H3,(H,33,35);3-6,9H,7-8H2,1-2H3,(H2,16,17).
What are the key properties of 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine?
4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine has a molecular weight of 1252.71 g/mol, XLogP of 17.70, 24 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylpropyl)-3H-pyrrolo[3,2-c]quinolin-2-one;4-N,4-N-dibenzyl-2-N-butyl-2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine is sourced from PubChem (CID 123208162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).