4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C21H19BrN4O2 — CID 163383432

IUPAC4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESNc1nc2ccc(C(=O)N(Cc3ccc(Br)cn3)C3CC3)cc2c2c1COC2
InChIInChI=1S/C21H19BrN4O2/c22-13-2-3-14(24-8-13)9-26(15-4-5-15)21(27)12-1-6-19-16(7-12)17-10-28-11-18(17)20(23)25-19/h1-3,6-8,15H,4-5,9-11H2,(H2,23,25)
InChIKeyYXLXXLGMYRCBIY-UHFFFAOYSA-N
MW439.31 g/mol
LogP3.81
Rot. Bonds4

About 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163383432) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163383432
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC Name4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESNc1nc2ccc(C(=O)N(Cc3ccc(Br)cn3)C3CC3)cc2c2c1COC2
InChIInChI=1S/C21H19BrN4O2/c22-13-2-3-14(24-8-13)9-26(15-4-5-15)21(27)12-1-6-19-16(7-12)17-10-28-11-18(17)20(23)25-19/h1-3,6-8,15H,4-5,9-11H2,(H2,23,25)
InChIKeyYXLXXLGMYRCBIY-UHFFFAOYSA-N
XLogP3.81
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163383432) is 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is Nc1nc2ccc(C(=O)N(Cc3ccc(Br)cn3)C3CC3)cc2c2c1COC2.
What is the InChIKey of 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is YXLXXLGMYRCBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c22-13-2-3-14(24-8-13)9-26(15-4-5-15)21(27)12-1-6-19-16(7-12)17-10-28-11-18(17)20(23)25-19/h1-3,6-8,15H,4-5,9-11H2,(H2,23,25).
What are the key properties of 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).