N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide

C19H25N5O — CID 23512692

IUPACN-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
SMILESCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C(C)C
InChIInChI=1S/C19H25N5O/c1-12(2)19(25)21-10-6-7-11-24-13(3)22-16-17(24)14-8-4-5-9-15(14)23-18(16)20/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,20,23)(H,21,25)
InChIKeyYYWDGTFNDCEKAS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.03
Rot. Bonds6

About N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide

N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide (PubChem CID 23512692) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
PubChem CID23512692
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
SMILESCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C(C)C
InChIInChI=1S/C19H25N5O/c1-12(2)19(25)21-10-6-7-11-24-13(3)22-16-17(24)14-8-4-5-9-15(14)23-18(16)20/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,20,23)(H,21,25)
InChIKeyYYWDGTFNDCEKAS-UHFFFAOYSA-N
XLogP3.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide (CID 23512692) is N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide is Cc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C(C)C.
What is the InChIKey of N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide?
The InChIKey is YYWDGTFNDCEKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12(2)19(25)21-10-6-7-11-24-13(3)22-16-17(24)14-8-4-5-9-15(14)23-18(16)20/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,20,23)(H,21,25).
What are the key properties of N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide?
N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide is sourced from PubChem (CID 23512692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).