N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide

C33H27N3O4 — CID 59730751

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(C)oc3cc(Oc4ccnc5cc(OCc6ccccc6)ccc45)ccc23)c1
InChIInChI=1S/C33H27N3O4/c1-20-15-21(2)35-31(16-20)36-33(37)32-22(3)39-30-18-25(10-12-27(30)32)40-29-13-14-34-28-17-24(9-11-26(28)29)38-19-23-7-5-4-6-8-23/h4-18H,19H2,1-3H3,(H,35,36,37)
InChIKeyWPINHEKEPGZHFH-UHFFFAOYSA-N
MW529.60 g/mol
LogP7.92
Rot. Bonds7

About N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide (PubChem CID 59730751) has the molecular formula C33H27N3O4 and a molecular weight of 529.60 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide
PubChem CID59730751
Molecular FormulaC33H27N3O4
Molecular Weight529.60 g/mol
Exact Mass529.20
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(C)oc3cc(Oc4ccnc5cc(OCc6ccccc6)ccc45)ccc23)c1
InChIInChI=1S/C33H27N3O4/c1-20-15-21(2)35-31(16-20)36-33(37)32-22(3)39-30-18-25(10-12-27(30)32)40-29-13-14-34-28-17-24(9-11-26(28)29)38-19-23-7-5-4-6-8-23/h4-18H,19H2,1-3H3,(H,35,36,37)
InChIKeyWPINHEKEPGZHFH-UHFFFAOYSA-N
XLogP7.92
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.60
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
CID 11165656
6-(7-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 135507449
2-methyl-5-phenylmethoxy-N-pyridazin-3-yl-1-benzofuran-3-carboxamide
CID 163379719
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 143070677
N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 11418728
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 8550950
2-methyl-7-(7-phenylmethoxyquinolin-4-yl)oxyimidazo[1,2-a]pyridine-3-carbaldehyde
CID 88955628
methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate
CID 26841545
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
N-(6-methyl-2-pyridinyl)-4-phenylmethoxybenzamide
CID 35036020

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide (CID 59730751) is N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide is Cc1cc(C)nc(NC(=O)c2c(C)oc3cc(Oc4ccnc5cc(OCc6ccccc6)ccc45)ccc23)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide?
The InChIKey is WPINHEKEPGZHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O4/c1-20-15-21(2)35-31(16-20)36-33(37)32-22(3)39-30-18-25(10-12-27(30)32)40-29-13-14-34-28-17-24(9-11-26(28)29)38-19-23-7-5-4-6-8-23/h4-18H,19H2,1-3H3,(H,35,36,37).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide has a molecular weight of 529.60 g/mol, XLogP of 7.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59730751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).