2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine

C50H40Cl2F2N10O3 — CID 159319935

IUPAC2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine
SMILESNCc1cc2c(Cl)c[nH]c2cc1F.Nc1cnc2ccc(Cc3cc(C(=O)NCc4cc5c(Cl)c[nH]c5cc4F)ccn3)cc2c1.Nc1cnc2ccc(Cc3cc(C(=O)O)ccn3)cc2c1
InChIInChI=1S/C25H19ClFN5O.C16H13N3O2.C9H8ClFN2/c26-21-13-31-24-10-22(27)17(9-20(21)24)11-32-25(33)15-3-4-29-19(8-15)6-14-1-2-23-16(5-14)7-18(28)12-30-23;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;10-7-4-13-9-2-8(11)5(3-12)1-6(7)9/h1-5,7-10,12-13,31H,6,11,28H2,(H,32,33);1-5,7-9H,6,17H2,(H,20,21);1-2,4,13H,3,12H2
InChIKeyLDQAGNLRPOIVLJ-UHFFFAOYSA-N
MW937.84 g/mol
LogP9.93
Rot. Bonds9

About 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine

2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine (PubChem CID 159319935) has the molecular formula C50H40Cl2F2N10O3 and a molecular weight of 937.84 g/mol. Its IUPAC name is 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine.

Molecular Properties

Compound Name2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine
PubChem CID159319935
Molecular FormulaC50H40Cl2F2N10O3
Molecular Weight937.84 g/mol
Exact Mass936.26
IUPAC Name2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine
SMILESNCc1cc2c(Cl)c[nH]c2cc1F.Nc1cnc2ccc(Cc3cc(C(=O)NCc4cc5c(Cl)c[nH]c5cc4F)ccn3)cc2c1.Nc1cnc2ccc(Cc3cc(C(=O)O)ccn3)cc2c1
InChIInChI=1S/C25H19ClFN5O.C16H13N3O2.C9H8ClFN2/c26-21-13-31-24-10-22(27)17(9-20(21)24)11-32-25(33)15-3-4-29-19(8-15)6-14-1-2-23-16(5-14)7-18(28)12-30-23;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;10-7-4-13-9-2-8(11)5(3-12)1-6(7)9/h1-5,7-10,12-13,31H,6,11,28H2,(H,32,33);1-5,7-9H,6,17H2,(H,20,21);1-2,4,13H,3,12H2
InChIKeyLDQAGNLRPOIVLJ-UHFFFAOYSA-N
XLogP9.93
TPSA227.60 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.84
LogP ≤ 59.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine?
The IUPAC name of 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine (CID 159319935) is 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine.
What is the SMILES notation for 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine?
The canonical SMILES for 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine is NCc1cc2c(Cl)c[nH]c2cc1F.Nc1cnc2ccc(Cc3cc(C(=O)NCc4cc5c(Cl)c[nH]c5cc4F)ccn3)cc2c1.Nc1cnc2ccc(Cc3cc(C(=O)O)ccn3)cc2c1.
What is the InChIKey of 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine?
The InChIKey is LDQAGNLRPOIVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O.C16H13N3O2.C9H8ClFN2/c26-21-13-31-24-10-22(27)17(9-20(21)24)11-32-25(33)15-3-4-29-19(8-15)6-14-1-2-23-16(5-14)7-18(28)12-30-23;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;10-7-4-13-9-2-8(11)5(3-12)1-6(7)9/h1-5,7-10,12-13,31H,6,11,28H2,(H,32,33);1-5,7-9H,6,17H2,(H,20,21);1-2,4,13H,3,12H2.
What are the key properties of 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine?
2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine has a molecular weight of 937.84 g/mol, XLogP of 9.93, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinolin-6-yl)methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;2-[(3-aminoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-fluoro-1H-indol-5-yl)methanamine is sourced from PubChem (CID 159319935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).