2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide

C23H18ClN3O2 — CID 53299582

IUPAC2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide
SMILESNc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H18ClN3O2/c24-17-8-11-21-16(12-17)13-20(22(25)27-21)23(28)26-14-15-6-9-19(10-7-15)29-18-4-2-1-3-5-18/h1-13H,14H2,(H2,25,27)(H,26,28)
InChIKeyFQMYXCFXFKWUCK-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.19
Rot. Bonds5

About 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide

2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide (PubChem CID 53299582) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide
PubChem CID53299582
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide
SMILESNc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H18ClN3O2/c24-17-8-11-21-16(12-17)13-20(22(25)27-21)23(28)26-14-15-6-9-19(10-7-15)29-18-4-2-1-3-5-18/h1-13H,14H2,(H2,25,27)(H,26,28)
InChIKeyFQMYXCFXFKWUCK-UHFFFAOYSA-N
XLogP5.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide (CID 53299582) is 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide is Nc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide?
The InChIKey is FQMYXCFXFKWUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-17-8-11-21-16(12-17)13-20(22(25)27-21)23(28)26-14-15-6-9-19(10-7-15)29-18-4-2-1-3-5-18/h1-13H,14H2,(H2,25,27)(H,26,28).
What are the key properties of 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide?
2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[(4-phenoxyphenyl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 53299582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).