N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide

C21H15ClN2O2 — CID 71883734

IUPACN-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(Cl)c1
InChIInChI=1S/C21H15ClN2O2/c1-26-14-8-9-19(18(22)12-14)24-21(25)17-11-13-5-2-3-6-15(13)16-7-4-10-23-20(16)17/h2-12H,1H3,(H,24,25)
InChIKeyUVNXMWOHHWMKJF-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.30
Rot. Bonds3

About N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide

N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide (PubChem CID 71883734) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
PubChem CID71883734
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC NameN-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(Cl)c1
InChIInChI=1S/C21H15ClN2O2/c1-26-14-8-9-19(18(22)12-14)24-21(25)17-11-13-5-2-3-6-15(13)16-7-4-10-23-20(16)17/h2-12H,1H3,(H,24,25)
InChIKeyUVNXMWOHHWMKJF-UHFFFAOYSA-N
XLogP5.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide
CID 100646487
N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
CID 71894350
2-hydroxy-4-methoxy-N-(8-methylquinolin-5-yl)benzamide
CID 112812578
2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide
CID 38266685
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
3-chloro-4-[[3-[(2-chloro-4-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136854950
N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86860357
3-chloro-2-[[3-[(2-chloro-4-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-ethylbenzenesulfonic acid
CID 136856043
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
N-(6-methoxyquinolin-8-yl)benzamide
CID 684962
N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide
CID 60528342

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide (CID 71883734) is N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide?
The InChIKey is UVNXMWOHHWMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c1-26-14-8-9-19(18(22)12-14)24-21(25)17-11-13-5-2-3-6-15(13)16-7-4-10-23-20(16)17/h2-12H,1H3,(H,24,25).
What are the key properties of N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide?
N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 71883734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).