2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide

C27H19ClN2O — CID 4138737

IUPAC2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)c1
InChIInChI=1S/C27H19ClN2O/c28-17-26(31)29-21-11-6-10-20(15-21)23-16-25(19-8-2-1-3-9-19)30-24-14-13-18-7-4-5-12-22(18)27(23)24/h1-16H,17H2,(H,29,31)
InChIKeyAZMUQYNERFIFRA-UHFFFAOYSA-N
MW422.92 g/mol
LogP6.90
Rot. Bonds4

About 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide

2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide (PubChem CID 4138737) has the molecular formula C27H19ClN2O and a molecular weight of 422.92 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide
PubChem CID4138737
Molecular FormulaC27H19ClN2O
Molecular Weight422.92 g/mol
Exact Mass422.12
IUPAC Name2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)c1
InChIInChI=1S/C27H19ClN2O/c28-17-26(31)29-21-11-6-10-20(15-21)23-16-25(19-8-2-1-3-9-19)30-24-14-13-18-7-4-5-12-22(18)27(23)24/h1-16H,17H2,(H,29,31)
InChIKeyAZMUQYNERFIFRA-UHFFFAOYSA-N
XLogP6.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dibenz(a,j)acridine
CID 9177
1,3-Diphenyl-benzo(F)quinoline
CID 3094016
N-[5-[(E)-2-(6-chloro-2-quinolyl)vinyl]-2-naphthyl]acetamide
CID 6479602
N,N-dimethyl-4-[(E)-2-(4-phenylbenzo[f]quinolin-4-ium-3-yl)ethenyl]aniline chloride
CID 16195997
12-Phenylbenzo[b]acridine;hydrochloride
CID 137653286
2-chloro-N-(2-methylquinolin-6-yl)acetamide
CID 71453385
N-[5-[(E)-2-(7-chloro-2-quinolyl)vinyl]-2-naphthyl]benzamide
CID 6479607
N-[4-[4-[[methyl(propyl)amino]methyl]quinolin-2-yl]phenyl]acetamide
CID 132020100
N-[4-[4-(propylaminomethyl)quinolin-2-yl]phenyl]acetamide
CID 132020193
N-[4-[4-[[butyl(methyl)amino]methyl]quinolin-2-yl]phenyl]acetamide
CID 132020211
Icr 370
CID 162337
1,3-Propanediamine, N'-benz(b)acridin-12-yl-N-(2-chloroethyl)-N-ethyl-, dihydrochloride, hydrate
CID 217503

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide (CID 4138737) is 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide is O=C(CCl)Nc1cccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)c1.
What is the InChIKey of 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide?
The InChIKey is AZMUQYNERFIFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O/c28-17-26(31)29-21-11-6-10-20(15-21)23-16-25(19-8-2-1-3-9-19)30-24-14-13-18-7-4-5-12-22(18)27(23)24/h1-16H,17H2,(H,29,31).
What are the key properties of 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide?
2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide has a molecular weight of 422.92 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]acetamide is sourced from PubChem (CID 4138737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).