3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide

C17H18FN3O — CID 43823759

IUPAC3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CN2CCCc3cc(N)ccc32)c1
InChIInChI=1S/C17H18FN3O/c18-15-5-3-12(17(20)22)8-13(15)10-21-7-1-2-11-9-14(19)4-6-16(11)21/h3-6,8-9H,1-2,7,10,19H2,(H2,20,22)
InChIKeyPHAPCXIPMJZHHC-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.46
Rot. Bonds3

About 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide

3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide (PubChem CID 43823759) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
PubChem CID43823759
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CN2CCCc3cc(N)ccc32)c1
InChIInChI=1S/C17H18FN3O/c18-15-5-3-12(17(20)22)8-13(15)10-21-7-1-2-11-9-14(19)4-6-16(11)21/h3-6,8-9H,1-2,7,10,19H2,(H2,20,22)
InChIKeyPHAPCXIPMJZHHC-UHFFFAOYSA-N
XLogP2.46
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide (CID 43823759) is 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(CN2CCCc3cc(N)ccc32)c1.
What is the InChIKey of 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide?
The InChIKey is PHAPCXIPMJZHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-5-3-12(17(20)22)8-13(15)10-21-7-1-2-11-9-14(19)4-6-16(11)21/h3-6,8-9H,1-2,7,10,19H2,(H2,20,22).
What are the key properties of 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide?
3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide has a molecular weight of 299.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 43823759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).