2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide

C18H15FN4O3 — CID 133271463

IUPAC2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1F
InChIInChI=1S/C18H15FN4O3/c19-15-4-2-1-3-14(15)18(24)21-10-9-20-17-8-5-12-11-13(23(25)26)6-7-16(12)22-17/h1-8,11H,9-10H2,(H,20,22)(H,21,24)
InChIKeyPFRWWHHNYYCPNC-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.12
Rot. Bonds6

About 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide

2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide (PubChem CID 133271463) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide
PubChem CID133271463
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1F
InChIInChI=1S/C18H15FN4O3/c19-15-4-2-1-3-14(15)18(24)21-10-9-20-17-8-5-12-11-13(23(25)26)6-7-16(12)22-17/h1-8,11H,9-10H2,(H,20,22)(H,21,24)
InChIKeyPFRWWHHNYYCPNC-UHFFFAOYSA-N
XLogP3.12
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[(6-nitroquinolin-2-yl)amino]propanamide
CID 133279470
6-nitro-N-propylquinolin-2-amine
CID 43450859
4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
CID 86975020
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
2-fluoro-N-[3-(4-nitroanilino)propyl]benzamide
CID 5347228
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide
CID 71991073
5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide
CID 133309757
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
2-fluoro-N-[2-(3-methyl-4-nitroanilino)ethyl]benzamide
CID 133271443
2-fluoro-N-[2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]benzamide
CID 108538248

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide (CID 133271463) is 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide is O=C(NCCNc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide?
The InChIKey is PFRWWHHNYYCPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-15-4-2-1-3-14(15)18(24)21-10-9-20-17-8-5-12-11-13(23(25)26)6-7-16(12)22-17/h1-8,11H,9-10H2,(H,20,22)(H,21,24).
What are the key properties of 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide?
2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide has a molecular weight of 354.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133271463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).