N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide

C22H17N3O3 — CID 71894350

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1
InChIInChI=1S/C22H17N3O3/c23-20(26)13-28-16-9-7-15(8-10-16)25-22(27)19-12-14-4-1-2-5-17(14)18-6-3-11-24-21(18)19/h1-12H,13H2,(H2,23,26)(H,25,27)
InChIKeyRPJUBWMVJDLHDM-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.50
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide (PubChem CID 71894350) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
PubChem CID71894350
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1
InChIInChI=1S/C22H17N3O3/c23-20(26)13-28-16-9-7-15(8-10-16)25-22(27)19-12-14-4-1-2-5-17(14)18-6-3-11-24-21(18)19/h1-12H,13H2,(H2,23,26)(H,25,27)
InChIKeyRPJUBWMVJDLHDM-UHFFFAOYSA-N
XLogP3.50
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55754135
N-[4-(pyrazol-1-ylmethyl)phenyl]benzo[f]quinoline-5-carboxamide
CID 55970824
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
CID 71883734
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
CID 32944118
2-[4-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]phenoxy]acetamide
CID 55828463
6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
CID 55872469
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 143927256

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide (CID 71894350) is N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide is NC(=O)COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide?
The InChIKey is RPJUBWMVJDLHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c23-20(26)13-28-16-9-7-15(8-10-16)25-22(27)19-12-14-4-1-2-5-17(14)18-6-3-11-24-21(18)19/h1-12H,13H2,(H2,23,26)(H,25,27).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 71894350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).