7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one

C27H24FN5O2 — CID 26318921

IUPAC7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one
SMILESCOc1cccc(Cn2c(=O)c(CNCc3cnn(-c4ccccc4)n3)cc3ccc(F)cc32)c1
InChIInChI=1S/C27H24FN5O2/c1-35-25-9-5-6-19(12-25)18-32-26-14-22(28)11-10-20(26)13-21(27(32)34)15-29-16-23-17-30-33(31-23)24-7-3-2-4-8-24/h2-14,17,29H,15-16,18H2,1H3
InChIKeyMQDZIKIPQWDFGZ-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.07
Rot. Bonds8

About 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one

7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one (PubChem CID 26318921) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one
PubChem CID26318921
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one
SMILESCOc1cccc(Cn2c(=O)c(CNCc3cnn(-c4ccccc4)n3)cc3ccc(F)cc32)c1
InChIInChI=1S/C27H24FN5O2/c1-35-25-9-5-6-19(12-25)18-32-26-14-22(28)11-10-20(26)13-21(27(32)34)15-29-16-23-17-30-33(31-23)24-7-3-2-4-8-24/h2-14,17,29H,15-16,18H2,1H3
InChIKeyMQDZIKIPQWDFGZ-UHFFFAOYSA-N
XLogP4.07
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one with MolForge

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Related Compounds

1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 17455113
3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28774635
3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one
CID 75527780
1-[(3-fluorophenyl)methyl]-3-[[(3-methoxyphenyl)methylamino]methyl]indole-2-carboxylic acid
CID 53208418
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
4-benzyl-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005408
2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 160535192
N-[[2-(4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 78925500
1-[(4-fluorophenyl)methyl]-3-[[(3-methoxyphenyl)methylamino]methyl]indole-2-carboxylic acid
CID 53208325
2-[(3-fluorophenyl)methylsulfanyl]-3-[(3-methoxyphenyl)methyl]quinazolin-4-one
CID 51365392
1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 62405326
7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 163359200

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one?
The IUPAC name of 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one (CID 26318921) is 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one.
What is the SMILES notation for 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one?
The canonical SMILES for 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one is COc1cccc(Cn2c(=O)c(CNCc3cnn(-c4ccccc4)n3)cc3ccc(F)cc32)c1.
What is the InChIKey of 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one?
The InChIKey is MQDZIKIPQWDFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c1-35-25-9-5-6-19(12-25)18-32-26-14-22(28)11-10-20(26)13-21(27(32)34)15-29-16-23-17-30-33(31-23)24-7-3-2-4-8-24/h2-14,17,29H,15-16,18H2,1H3.
What are the key properties of 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one?
7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one has a molecular weight of 469.52 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one is sourced from PubChem (CID 26318921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).