2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide

C18H17N3O3 — CID 615754

IUPAC2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-9-11-8-13(17(19)21-14(11)10-16(15)24-2)18(22)20-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyDXTQMJCEDQUJSJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide

2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide (PubChem CID 615754) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
PubChem CID615754
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-9-11-8-13(17(19)21-14(11)10-16(15)24-2)18(22)20-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyDXTQMJCEDQUJSJ-UHFFFAOYSA-N
XLogP3.09
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide?
The IUPAC name of 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide (CID 615754) is 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide is COc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC.
What is the InChIKey of 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide?
The InChIKey is DXTQMJCEDQUJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-9-11-8-13(17(19)21-14(11)10-16(15)24-2)18(22)20-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide?
2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 615754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).