N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide

C26H32N8O — CID 135317306

IUPACN-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1ccc(CN=C(N)N)cc1
InChIInChI=1S/C26H32N8O/c1-2-7-21-33-22-23(19-8-3-4-9-20(19)32-24(22)27)34(21)15-6-5-14-30-25(35)18-12-10-17(11-13-18)16-31-26(28)29/h3-4,8-13H,2,5-7,14-16H2,1H3,(H2,27,32)(H,30,35)(H4,28,29,31)
InChIKeyUAHAMZRRGCMCJJ-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.10
Rot. Bonds10

About N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide

N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide (PubChem CID 135317306) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide
PubChem CID135317306
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC NameN-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1ccc(CN=C(N)N)cc1
InChIInChI=1S/C26H32N8O/c1-2-7-21-33-22-23(19-8-3-4-9-20(19)32-24(22)27)34(21)15-6-5-14-30-25(35)18-12-10-17(11-13-18)16-31-26(28)29/h3-4,8-13H,2,5-7,14-16H2,1H3,(H2,27,32)(H,30,35)(H4,28,29,31)
InChIKeyUAHAMZRRGCMCJJ-UHFFFAOYSA-N
XLogP3.10
TPSA150.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide?
The IUPAC name of N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide (CID 135317306) is N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide.
What is the SMILES notation for N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide?
The canonical SMILES for N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide is CCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1ccc(CN=C(N)N)cc1.
What is the InChIKey of N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide?
The InChIKey is UAHAMZRRGCMCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-2-7-21-33-22-23(19-8-3-4-9-20(19)32-24(22)27)34(21)15-6-5-14-30-25(35)18-12-10-17(11-13-18)16-31-26(28)29/h3-4,8-13H,2,5-7,14-16H2,1H3,(H2,27,32)(H,30,35)(H4,28,29,31).
What are the key properties of N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide?
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide has a molecular weight of 472.60 g/mol, XLogP of 3.10, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide is sourced from PubChem (CID 135317306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).